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Chemical ID: 5989502

CCOc1ccc(cc1)NC(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)F

Chemical ID:

5989502

Name [?]:

N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-piperidine-1-carboxamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)F

InChi [?]:

InChI=1/C22H23FN4O3/c1-2-29-19-9-7-18(8-10-19)24-22(28)27-13-11-16(12-14-27)21-25-20(26-30-21)15-3-5-17(23)6-4-15/h3-10,16H,2,11-14H2,1H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,2,25,29,26,28,6,8,5,9,15,17,14,18,24,16,27,7,4,21,19,11,30,10,20,22,13,12,3,23/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCCOCCCCCCNCONCCCCCCNCNOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃FN₄O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1142
Area:	640.836
Solvation:	-4.90673
Coulombic:	-52.9496

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	410.442
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.94
LogP (Chemaxon):	4.11

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