6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one

C11H9N3O3 — CID 116832547

IUPAC6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one
SMILESCNc1nc(-c2ccc3[nH]c(=O)oc3c2)co1
InChIInChI=1S/C11H9N3O3/c1-12-10-13-8(5-16-10)6-2-3-7-9(4-6)17-11(15)14-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyCADWETSGZNYLFB-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.82
Rot. Bonds2

About 6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one

6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 116832547) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one
PubChem CID116832547
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one
SMILESCNc1nc(-c2ccc3[nH]c(=O)oc3c2)co1
InChIInChI=1S/C11H9N3O3/c1-12-10-13-8(5-16-10)6-2-3-7-9(4-6)17-11(15)14-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyCADWETSGZNYLFB-UHFFFAOYSA-N
XLogP1.82
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 22693688
6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 17456976
3-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-pyrazole-5-carbaldehyde
CID 84761476
6-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 116893854
6-[2-(methylamino)-1,3-oxazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116832523
6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 84567419
6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 116869188
6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
CID 58255623
6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one
CID 83779516
6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 82103001
6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one
CID 116832176
6-(4-sulfanyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one
CID 116889686

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one (CID 116832547) is 6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one is CNc1nc(-c2ccc3[nH]c(=O)oc3c2)co1.
What is the InChIKey of 6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is CADWETSGZNYLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-12-10-13-8(5-16-10)6-2-3-7-9(4-6)17-11(15)14-7/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one?
6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 231.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116832547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).