7-(2-methylpyrazol-3-yl)-1,3-benzoxazole

C11H9N3O — CID 166273345

IUPAC7-(2-methylpyrazol-3-yl)-1,3-benzoxazole
SMILESCn1nccc1-c1cccc2ncoc12
InChIInChI=1S/C11H9N3O/c1-14-10(5-6-13-14)8-3-2-4-9-11(8)15-7-12-9/h2-7H,1H3
InChIKeyUSCHZZSIIYJYEK-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.23
Rot. Bonds1

About 7-(2-methylpyrazol-3-yl)-1,3-benzoxazole

7-(2-methylpyrazol-3-yl)-1,3-benzoxazole (PubChem CID 166273345) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 7-(2-methylpyrazol-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-(2-methylpyrazol-3-yl)-1,3-benzoxazole
PubChem CID166273345
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name7-(2-methylpyrazol-3-yl)-1,3-benzoxazole
SMILESCn1nccc1-c1cccc2ncoc12
InChIInChI=1S/C11H9N3O/c1-14-10(5-6-13-14)8-3-2-4-9-11(8)15-7-12-9/h2-7H,1H3
InChIKeyUSCHZZSIIYJYEK-UHFFFAOYSA-N
XLogP2.23
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2-methylpyrazol-3-yl)-1,3-benzoxazole 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

2-fluoro-6-(2-methylpyrazol-3-yl)aniline
CID 107602827
7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole
CID 166649819
7-bromo-1,3-benzoxazole
CID 53408472
1-methyl-5-(4-methylthiophen-3-yl)pyrazole
CID 89104490
7-[(E)-prop-1-enyl]-1,3-benzoxazole
CID 90277918
3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
CID 135235807
N-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine
CID 63961389
5-(3-cyclopropyloxy-2-isocyanophenyl)-1-methylpyrazole
CID 176586305
4-hydroxy-2-(2-methylpyrazol-3-yl)benzaldehyde
CID 130229116
3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde
CID 106886490
2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile
CID 173078180
5-(2,4-dimethylphenyl)-1-methylpyrazole
CID 91605877

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpyrazol-3-yl)-1,3-benzoxazole?
The IUPAC name of 7-(2-methylpyrazol-3-yl)-1,3-benzoxazole (CID 166273345) is 7-(2-methylpyrazol-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 7-(2-methylpyrazol-3-yl)-1,3-benzoxazole?
The canonical SMILES for 7-(2-methylpyrazol-3-yl)-1,3-benzoxazole is Cn1nccc1-c1cccc2ncoc12.
What is the InChIKey of 7-(2-methylpyrazol-3-yl)-1,3-benzoxazole?
The InChIKey is USCHZZSIIYJYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-14-10(5-6-13-14)8-3-2-4-9-11(8)15-7-12-9/h2-7H,1H3.
What are the key properties of 7-(2-methylpyrazol-3-yl)-1,3-benzoxazole?
7-(2-methylpyrazol-3-yl)-1,3-benzoxazole has a molecular weight of 199.21 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpyrazol-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 166273345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).