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Chemical ID: 5988648

CCCCCc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccccc4

Chemical ID:

5988648

Name [?]:

(4-pentylphenyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-methanone

SMILES [?]:

CCCCCc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccccc4

InChi [?]:

InChI=1/C25H29N3O2/c1-2-3-5-8-19-11-13-22(14-12-19)25(29)28-17-15-21(16-18-28)24-26-23(27-30-24)20-9-6-4-7-10-20/h4,6-7,9-14,21H,2-3,5,8,15-18H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,28,4,27,29,5,26,30,7,11,8,10,16,18,15,19,6,25,17,9,22,20,12,21,23,14,13,24/E:(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:30nCCCCCCCCCCCCONCCCCCCNCNOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s14s18;s17;d20;s21;d22;s20s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₉N₃O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	14.2898
Area:	674.184
Solvation:	-2.56485
Coulombic:	-32.9362

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	403.517
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.56
LogP (Chemaxon):	5.53

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value