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Chemical ID: 5988420

c1ccc2c(c1)cccc2C(=O)N3CCC(CC3)c4nc(no4)c5cccc(c5)Cl

Chemical ID:

5988420

Name [?]:

[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(1-naphthyl)methanone

SMILES [?]:

c1ccc2c(c1)cccc2C(=O)N3CCC(CC3)c4nc(no4)c5cccc(c5)Cl

InChi [?]:

InChI=1/C24H20ClN3O2/c25-19-8-3-7-18(15-19)22-26-23(30-27-22)17-11-13-28(14-12-17)24(29)21-10-4-6-16-5-1-2-9-20(16)21/h1-10,15,17H,11-14H2

InChi Info:

AuxInfo=1/0/N:1,2,26,8,6,7,25,27,3,9,15,17,14,18,29,5,16,24,28,4,10,21,19,11,30,20,22,13,12,23/E:(11,12)(13,14)/rA:30nCCCCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀ClN₃O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1494
Area:	635.707
Solvation:	-2.74329
Coulombic:	-32.554

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	417.887
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.84
LogP (Chemaxon):	5.0

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value