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Chemical ID: 4805765

Chemical ID:

4805765

Name [?]:

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

SMILES [?]:

CCNC(=O)CCc1nc(no1)c2cccc(c2)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,20,2,15,14,16,6,7,18,13,17,4,8,10,3,9,11,5,19,12/rA:20nCCNCOCCCNCNOCCCCCCOC/rB:s1;s2;s3;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:	8.73757
Area:	500.719
Solvation:	-3.78041
Coulombic:	-38.4395

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	275.303
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	1.89
LogP (Chemaxon):	1.33

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