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Chemical ID: 5988808

COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)C=Cc4ccccc4

Chemical ID:

5988808

Name [?]:

1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3-phenyl-prop-2-en-1-one

SMILES [?]:

COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)C=Cc4ccccc4

InChi [?]:

InChI=1/C23H23N3O3/c1-28-20-11-5-9-18(15-20)22-24-23(29-25-22)19-10-6-14-26(16-19)21(27)13-12-17-7-3-2-4-8-17/h2-5,7-9,11-13,15,19H,6,10,14,16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,27,26,28,5,16,25,29,6,15,4,23,22,17,8,19,24,7,14,3,20,9,11,10,13,18,21,2,12/E:(3,4)(7,8)/rA:29cCOCCCCCCCNCONCCCCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;w22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃N₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	11.1938
Area:	620.177
Solvation:	-4.31067
Coulombic:	-37.4237

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	6
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	389.447
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.14
LogP (Chemaxon):	3.96

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