4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

C20H18N4O3 — CID 35529721

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)cc2)n1
InChIInChI=1S/C20H18N4O3/c1-12-9-13(2)24(23-12)16-6-3-14(4-7-16)20(26)21-15-5-8-18-17(10-15)22-19(25)11-27-18/h3-10H,11H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyGBBNZAKATCFALL-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.07
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (PubChem CID 35529721) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
PubChem CID35529721
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)cc2)n1
InChIInChI=1S/C20H18N4O3/c1-12-9-13(2)24(23-12)16-6-3-14(4-7-16)20(26)21-15-5-8-18-17(10-15)22-19(25)11-27-18/h3-10H,11H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyGBBNZAKATCFALL-UHFFFAOYSA-N
XLogP3.07
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide with MolForge

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Related Compounds

1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
CID 166201309
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
1-(4-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24610301
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
1-(4-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31993797
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 55379171
3-methyl-4-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 34040603

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (CID 35529721) is 4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is GBBNZAKATCFALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12-9-13(2)24(23-12)16-6-3-14(4-7-16)20(26)21-15-5-8-18-17(10-15)22-19(25)11-27-18/h3-10H,11H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 362.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 35529721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).