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

C12H11N5O — CID 117354726

IUPAC[3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccccc2-n2ccnc2)no1
InChIInChI=1S/C12H11N5O/c13-7-11-15-12(16-18-11)9-3-1-2-4-10(9)17-6-5-14-8-17/h1-6,8H,7,13H2
InChIKeyJMTVNRGGJVCBFJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.38
Rot. Bonds3

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

[3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117354726) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is [3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117354726
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name[3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccccc2-n2ccnc2)no1
InChIInChI=1S/C12H11N5O/c13-7-11-15-12(16-18-11)9-3-1-2-4-10(9)17-6-5-14-8-17/h1-6,8H,7,13H2
InChIKeyJMTVNRGGJVCBFJ-UHFFFAOYSA-N
XLogP1.38
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117399628
[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117436157
[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117390951
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117325152
[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117342084
[3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117354721
2-(2-imidazol-1-ylphenyl)quinoline
CID 67206149
1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol
CID 115112692
[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117463936
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide
CID 60512576
[3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359751

Frequently Asked Questions

What is the IUPAC name of [3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117354726) is [3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2ccccc2-n2ccnc2)no1.
What is the InChIKey of [3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is JMTVNRGGJVCBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-7-11-15-12(16-18-11)9-3-1-2-4-10(9)17-6-5-14-8-17/h1-6,8H,7,13H2.
What are the key properties of [3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 241.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117354726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).