(3-phenyl-1,2-oxazol-5-yl)methanamine

C10H10N2O — CID 2764165

IUPAC(3-phenyl-1,2-oxazol-5-yl)methanamine
SMILESNCc1cc(-c2ccccc2)no1
InChIInChI=1S/C10H10N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7,11H2
InChIKeyAQZLTCXQTOKUAA-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.80
Rot. Bonds2

About (3-phenyl-1,2-oxazol-5-yl)methanamine

(3-phenyl-1,2-oxazol-5-yl)methanamine (PubChem CID 2764165) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methanamine
PubChem CID2764165
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methanamine
SMILESNCc1cc(-c2ccccc2)no1
InChIInChI=1S/C10H10N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7,11H2
InChIKeyAQZLTCXQTOKUAA-UHFFFAOYSA-N
XLogP1.80
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methanamine (CID 2764165) is (3-phenyl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methanamine is NCc1cc(-c2ccccc2)no1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methanamine?
The InChIKey is AQZLTCXQTOKUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7,11H2.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methanamine?
(3-phenyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 174.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 2764165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).