2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide

C13H12N4O2 — CID 32605703

IUPAC2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)Cc2noc3ccccc23)cn1
InChIInChI=1S/C13H12N4O2/c1-17-8-9(7-14-17)15-13(18)6-11-10-4-2-3-5-12(10)19-16-11/h2-5,7-8H,6H2,1H3,(H,15,18)
InChIKeyVPUVUJQWXRMFPX-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.74
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 32605703) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID32605703
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)Cc2noc3ccccc23)cn1
InChIInChI=1S/C13H12N4O2/c1-17-8-9(7-14-17)15-13(18)6-11-10-4-2-3-5-12(10)19-16-11/h2-5,7-8H,6H2,1H3,(H,15,18)
InChIKeyVPUVUJQWXRMFPX-UHFFFAOYSA-N
XLogP1.74
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide 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-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide
CID 86860516
2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 51095081
2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97427988
2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
CID 9206772
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148080
2-(1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 9210932
N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide
CID 71890231
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide
CID 155949741
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide (CID 32605703) is 2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide is Cn1cc(NC(=O)Cc2noc3ccccc23)cn1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is VPUVUJQWXRMFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-17-8-9(7-14-17)15-13(18)6-11-10-4-2-3-5-12(10)19-16-11/h2-5,7-8H,6H2,1H3,(H,15,18).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 256.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 32605703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).