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

C12H11N5O — CID 117354721

IUPAC[3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccccc2-c2ncc[nH]2)no1
InChIInChI=1S/C12H11N5O/c13-7-10-16-12(17-18-10)9-4-2-1-3-8(9)11-14-5-6-15-11/h1-6H,7,13H2,(H,14,15)
InChIKeyYLIGEKQKRSHGSV-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.59
Rot. Bonds3

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

[3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117354721) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is [3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117354721
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name[3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccccc2-c2ncc[nH]2)no1
InChIInChI=1S/C12H11N5O/c13-7-10-16-12(17-18-10)9-4-2-1-3-8(9)11-14-5-6-15-11/h1-6H,7,13H2,(H,14,15)
InChIKeyYLIGEKQKRSHGSV-UHFFFAOYSA-N
XLogP1.59
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[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
[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117342084
[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117399628
[3-(2,3-dihydro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309097
[3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354726
1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol
CID 115112692
[2-(1H-imidazol-2-yl)phenyl]methanol
CID 54081876
[3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117335867
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
[3-(1,2-benzothiazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117336159
2-(1H-imidazol-2-yl)phenolate
CID 132599402

Frequently Asked Questions

What is the IUPAC name of [3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 117354721) is [3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2ccccc2-c2ncc[nH]2)no1.
What is the InChIKey of [3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is YLIGEKQKRSHGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-7-10-16-12(17-18-10)9-4-2-1-3-8(9)11-14-5-6-15-11/h1-6H,7,13H2,(H,14,15).
What are the key properties of [3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 241.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117354721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).