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Chemical ID: 4808017

Chemical ID:

4808017

Name [?]:

3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethyl-propanamide

SMILES [?]:

CN(C)C(=O)CCc1nc(no1)c2cccc(c2)OC

InChi [?]:

InChI=1/C14H17N3O3/c1-17(2)13(18)8-7-12-15-14(16-20-12)10-5-4-6-11(9-10)19-3/h4-6,9H,7-8H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,20,15,14,16,7,6,18,13,17,8,4,10,9,11,2,5,19,12/E:(1,2)/rA:20nCNCCOCCCNCNOCCCCCCOC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₇N₃O₃
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.38212
Area:	491.532
Solvation:	-3.90618
Coulombic:	-33.5522

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	275.303
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	1.6
LogP (Chemaxon):	1.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value