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Chemical ID: 6283135

Chemical ID:

6283135

Name [?]:

N-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalene-1-carboxamide

SMILES [?]:

c1ccc(cc1)c2nnc(o2)NC(=O)c3cccc4c3cccc4

InChi [?]:

InChI=1/C19H13N3O2/c23-17(16-12-6-10-13-7-4-5-11-15(13)16)20-19-22-21-18(24-19)14-8-2-1-3-9-14/h1-12H,(H,20,22,23)

InChi Info:

AuxInfo=1/1/N:1,2,6,23,22,17,24,3,5,18,21,16,19,4,20,15,13,7,10,12,8,9,14,11/E:(2,3)(8,9)/rA:24nCCCCCCCNNCONCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₃N₃O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5459
Area:	516.787
Solvation:	-2.37383
Coulombic:	-39.9469

Bond Count [?]

All:	27
Single:	16
Double:	11
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	315.326
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.62
LogP (Chemaxon):	3.87

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value