2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C20H18N4O2 — CID 18122047

IUPAC2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C20H18N4O2/c1-13-20(14(2)24(22-13)15-8-4-3-5-9-15)21-19(25)12-17-16-10-6-7-11-18(16)26-23-17/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyXDOVSTQFKDBNSM-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.81
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 18122047) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID18122047
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C20H18N4O2/c1-13-20(14(2)24(22-13)15-8-4-3-5-9-15)21-19(25)12-17-16-10-6-7-11-18(16)26-23-17/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyXDOVSTQFKDBNSM-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-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-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

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 108803231
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 122356081
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396673
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylphenyl)acetamide
CID 24659529
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528207
2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
CID 47009947
2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 22519739
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148080
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 108792024

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 18122047) is 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is XDOVSTQFKDBNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-20(14(2)24(22-13)15-8-4-3-5-9-15)21-19(25)12-17-16-10-6-7-11-18(16)26-23-17/h3-11H,12H2,1-2H3,(H,21,25).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-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-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 18122047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).