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Chemical ID: 6283076

Chemical ID:

6283076

Name [?]:

2,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-benzamide

SMILES [?]:

COc1ccc(c(c1)OC)C(=O)Nc2nnc(o2)c3ccccc3

InChi [?]:

InChI=1/C17H15N3O4/c1-22-12-8-9-13(14(10-12)23-2)15(21)18-17-20-19-16(24-17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,20,21)

InChi Info:

AuxInfo=1/1/N:1,10,22,21,23,20,24,4,5,8,19,3,6,7,11,17,14,13,16,15,12,2,9,18/E:(4,5)(6,7)/rA:24nCOCCCCCCOCCONCNNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅N₃O₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	7.62208
Area:	533.553
Solvation:	-5.71675
Coulombic:	-50.1302

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	325.319
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.18
LogP (Chemaxon):	2.36

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