2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

C20H18N4O2 — CID 108803231

IUPAC2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)Nc3cc(C)nn3-c3ccccc3)c2c1
InChIInChI=1S/C20H18N4O2/c1-13-8-9-18-16(10-13)17(23-26-18)12-20(25)21-19-11-14(2)22-24(19)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyPBHRENXRRDAGRL-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.81
Rot. Bonds4

About 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (PubChem CID 108803231) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
PubChem CID108803231
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)Nc3cc(C)nn3-c3ccccc3)c2c1
InChIInChI=1S/C20H18N4O2/c1-13-8-9-18-16(10-13)17(23-26-18)12-20(25)21-19-11-14(2)22-24(19)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyPBHRENXRRDAGRL-UHFFFAOYSA-N
XLogP3.81
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-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

N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide
CID 108746133
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18122047
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647250
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108746218
N-(3-fluoro-4-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519775
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 108803187
diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
CID 6932117
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7228912
N-(4-bromo-2-fluorophenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108803279
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (CID 108803231) is 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is Cc1ccc2onc(CC(=O)Nc3cc(C)nn3-c3ccccc3)c2c1.
What is the InChIKey of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The InChIKey is PBHRENXRRDAGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-8-9-18-16(10-13)17(23-26-18)12-20(25)21-19-11-14(2)22-24(19)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,25).
What are the key properties of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 108803231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).