2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide

C17H20N4O3 — CID 75769095

IUPAC2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCc1ccc2c(c1)NC(=O)C(CC(=O)Nc1cnn(C(C)C)c1)O2
InChIInChI=1S/C17H20N4O3/c1-10(2)21-9-12(8-18-21)19-16(22)7-15-17(23)20-13-6-11(3)4-5-14(13)24-15/h4-6,8-10,15H,7H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyIGYGRNWZDJRPQX-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.50
Rot. Bonds4

About 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide

2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide (PubChem CID 75769095) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
PubChem CID75769095
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCc1ccc2c(c1)NC(=O)C(CC(=O)Nc1cnn(C(C)C)c1)O2
InChIInChI=1S/C17H20N4O3/c1-10(2)21-9-12(8-18-21)19-16(22)7-15-17(23)20-13-6-11(3)4-5-14(13)24-15/h4-6,8-10,15H,7H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyIGYGRNWZDJRPQX-UHFFFAOYSA-N
XLogP2.50
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide with MolForge

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Related Compounds

2-[(2R)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-methylphenyl)acetamide
CID 51409612
N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 51427064
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881714
N-(3-fluorophenyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768967
2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 75769965
N-(3,4-dimethoxyphenyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768978
ethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate
CID 20881689
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 92667632
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768951
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75769952
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40642850
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881738

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide (CID 75769095) is 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide is Cc1ccc2c(c1)NC(=O)C(CC(=O)Nc1cnn(C(C)C)c1)O2.
What is the InChIKey of 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The InChIKey is IGYGRNWZDJRPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10(2)21-9-12(8-18-21)19-16(22)7-15-17(23)20-13-6-11(3)4-5-14(13)24-15/h4-6,8-10,15H,7H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 75769095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).