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Chemical ID: 7094695

Chemical ID:

7094695

Name [?]:

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-propan-2-amine

SMILES [?]:

CC(C)(C)NCc1nc(no1)c2ccc(cc2)OC

InChi [?]:

InChI=1/C14H19N3O2/c1-14(2,3)15-9-12-16-13(17-19-12)10-5-7-11(18-4)8-6-10/h5-8,15H,9H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,3,4,19,13,17,14,16,6,12,15,7,9,2,5,8,10,18,11/E:(1,2,3)(5,6)(7,8)/rA:19nCCCCNCCNCNOCCCCCCOC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₉N₃O₂
All Atoms:	38
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.86829
Area:	471.414
Solvation:	-2.91705
Coulombic:	-28.657

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	261.32
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.89
LogP (Chemaxon):	2.15

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