[3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine

C12H13N5O — CID 117359751

IUPAC[3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1nc2cccc(-c3noc(CN)n3)c2n1C
InChIInChI=1S/C12H13N5O/c1-7-14-9-5-3-4-8(11(9)17(7)2)12-15-10(6-13)18-16-12/h3-5H,6,13H2,1-2H3
InChIKeyMTNJZPYKBHOWLK-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.39
Rot. Bonds2

About [3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117359751) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is [3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117359751
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name[3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1nc2cccc(-c3noc(CN)n3)c2n1C
InChIInChI=1S/C12H13N5O/c1-7-14-9-5-3-4-8(11(9)17(7)2)12-15-10(6-13)18-16-12/h3-5H,6,13H2,1-2H3
InChIKeyMTNJZPYKBHOWLK-UHFFFAOYSA-N
XLogP1.39
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117414013
[3-(2-chloro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117351733
[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117390951
[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117436157
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
[3-(2-bromo-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117456713
[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117463936
[3-(3-bromo-1-methylindol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117492159
[3-(3-methyl-1,2-benzothiazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117367828
[3-(2,3,4,5-tetramethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117334554
[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117342084

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117359751) is [3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine is Cc1nc2cccc(-c3noc(CN)n3)c2n1C.
What is the InChIKey of [3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is MTNJZPYKBHOWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-7-14-9-5-3-4-8(11(9)17(7)2)12-15-10(6-13)18-16-12/h3-5H,6,13H2,1-2H3.
What are the key properties of [3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 243.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117359751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).