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Chemical ID: 5996807

c1ccc(cc1)c2ccc(cc2)C(=O)N3CCCC3c4nc(no4)c5ccccc5

Chemical ID:

5996807

Name [?]:

[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-phenylphenyl)-methanone

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)C(=O)N3CCCC3c4nc(no4)c5ccccc5

InChi [?]:

InChI=1/C25H21N3O2/c29-25(21-15-13-19(14-16-21)18-8-3-1-4-9-18)28-17-7-12-22(28)24-26-23(27-30-24)20-10-5-2-6-11-20/h1-6,8-11,13-16,22H,7,12,17H2

InChi Info:

AuxInfo=1/0/N:1,28,2,6,27,29,17,3,5,26,30,18,8,12,9,11,16,4,7,25,10,19,22,20,13,21,23,15,14,24/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:30cCCCCCCCCCCCCCONCCCCCNCNOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s15s18;s19;d20;s21;d22;s20s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₁N₃O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.6763
Area:	626.175
Solvation:	-2.97804
Coulombic:	-33.9456

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	395.453
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.97
LogP (Chemaxon):	5.17

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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