3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine

C11H9N5O — CID 117326376

IUPAC3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccccc2-n2ccnn2)no1
InChIInChI=1S/C11H9N5O/c12-11-7-9(14-17-11)8-3-1-2-4-10(8)16-6-5-13-15-16/h1-7H,12H2
InChIKeyNWIIXKQOSXLREY-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.50
Rot. Bonds2

About 3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine

3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117326376) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine
PubChem CID117326376
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccccc2-n2ccnn2)no1
InChIInChI=1S/C11H9N5O/c12-11-7-9(14-17-11)8-3-1-2-4-10(8)16-6-5-13-15-16/h1-7H,12H2
InChIKeyNWIIXKQOSXLREY-UHFFFAOYSA-N
XLogP1.50
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine
CID 117325182
3-(2-piperidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117360434
3-(triazol-1-yl)pyridin-2-amine
CID 84651207
3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117299819
3-[2-[2-(triazol-1-yl)phenyl]phenyl]-1,2,4-thiadiazole
CID 91473384
copper;1-(2-methylphenyl)triazole
CID 141369525
3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117314022
3-(triazol-1-yl)pyridin-4-amine
CID 84651204
4-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015302
1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol
CID 115112305
N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 99838281
3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine
CID 117305291

Frequently Asked Questions

What is the IUPAC name of 3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine (CID 117326376) is 3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2ccccc2-n2ccnn2)no1.
What is the InChIKey of 3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is NWIIXKQOSXLREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-11-7-9(14-17-11)8-3-1-2-4-10(8)16-6-5-13-15-16/h1-7H,12H2.
What are the key properties of 3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine?
3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 227.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(triazol-1-yl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117326376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).