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Chemical ID: 4492497

Chemical ID:

4492497

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C13H17N3O2/c1-9(2)14-8-12-15-13(16-18-12)10-4-6-11(17-3)7-5-10/h4-7,9,14H,8H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,18,12,16,13,15,5,2,11,14,6,8,4,7,9,17,10/E:(1,2)(4,5)(6,7)/rA:18nCCCNCCNCNOCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₇N₃O₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.54952
Area:	460.237
Solvation:	-2.95641
Coulombic:	-28.5745

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	247.293
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.47
LogP (Chemaxon):	2.07

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