2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

C16H17N3O3 — CID 110205820

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESCc1ccc(C)n1CC(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H17N3O3/c1-10-3-4-11(2)19(10)8-15(20)17-12-5-6-14-13(7-12)18-16(21)9-22-14/h3-7H,8-9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyZDSZYRQNFPVWPL-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.07
Rot. Bonds3

About 2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (PubChem CID 110205820) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
PubChem CID110205820
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESCc1ccc(C)n1CC(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H17N3O3/c1-10-3-4-11(2)19(10)8-15(20)17-12-5-6-14-13(7-12)18-16(21)9-22-14/h3-7H,8-9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyZDSZYRQNFPVWPL-UHFFFAOYSA-N
XLogP2.07
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51175989
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957972
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052
methyl 1-[2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]ethyl]indole-3-carboxylate
CID 31020646
4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 81087224
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 32969780
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 162727660
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 51153500
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (CID 110205820) is 2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is Cc1ccc(C)n1CC(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is ZDSZYRQNFPVWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-3-4-11(2)19(10)8-15(20)17-12-5-6-14-13(7-12)18-16(21)9-22-14/h3-7H,8-9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 110205820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).