[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine

C11H12N2O2 — CID 2764164

IUPAC[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)on2)cc1
InChIInChI=1S/C11H12N2O2/c1-14-9-4-2-8(3-5-9)11-6-10(7-12)15-13-11/h2-6H,7,12H2,1H3
InChIKeyPUSNHMVHJYSGME-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.81
Rot. Bonds3

About [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine

[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine (PubChem CID 2764164) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine
PubChem CID2764164
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)on2)cc1
InChIInChI=1S/C11H12N2O2/c1-14-9-4-2-8(3-5-9)11-6-10(7-12)15-13-11/h2-6H,7,12H2,1H3
InChIKeyPUSNHMVHJYSGME-UHFFFAOYSA-N
XLogP1.81
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine (CID 2764164) is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine is COc1ccc(-c2cc(CN)on2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine?
The InChIKey is PUSNHMVHJYSGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-14-9-4-2-8(3-5-9)11-6-10(7-12)15-13-11/h2-6H,7,12H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine?
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine has a molecular weight of 204.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 2764164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).