6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one

C11H9N3O2 — CID 116869188

IUPAC6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
SMILESCn1nccc1-c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H9N3O2/c1-14-9(4-5-12-14)7-2-3-8-10(6-7)16-11(15)13-8/h2-6H,1H3,(H,13,15)
InChIKeyJOULJPOSHQDWDV-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.52
Rot. Bonds1

About 6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one

6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 116869188) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
PubChem CID116869188
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
SMILESCn1nccc1-c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H9N3O2/c1-14-9(4-5-12-14)7-2-3-8-10(6-7)16-11(15)13-8/h2-6H,1H3,(H,13,15)
InChIKeyJOULJPOSHQDWDV-UHFFFAOYSA-N
XLogP1.52
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-methylpyrazol-3-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-pyridin-3-yl-3H-1,3-benzoxazol-2-one
CID 58255623
5-(2,5-dimethylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 116856803
6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 82068607
5-(3,4-dichlorophenyl)-1-methylpyrazole
CID 71232464
4-(2-oxo-3H-1,3-benzoxazol-6-yl)benzoic acid
CID 22730479
3-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-pyrazole-5-carbaldehyde
CID 84761476
4-(2-methylpyrazol-3-yl)benzene-1,2-diamine
CID 91618945
6-methylsulfanyl-3H-1,3-benzoxazol-2-one
CID 130992219
6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116832547
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
6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one
CID 116832176

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one (CID 116869188) is 6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one is Cn1nccc1-c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is JOULJPOSHQDWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-14-9(4-5-12-14)7-2-3-8-10(6-7)16-11(15)13-8/h2-6H,1H3,(H,13,15).
What are the key properties of 6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one?
6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 215.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116869188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).