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

C18H14N4O3 — CID 59802884

IUPACN-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide
SMILESO=C1COc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)c3)cc2N1
InChIInChI=1S/C18H14N4O3/c23-17-10-25-16-5-4-13(9-15(16)21-17)20-18(24)12-3-1-2-11(8-12)14-6-7-19-22-14/h1-9H,10H2,(H,19,22)(H,20,24)(H,21,23)
InChIKeyYQBVXWDKYJZKJT-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.66
Rot. Bonds3

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

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide (PubChem CID 59802884) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide
PubChem CID59802884
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide
SMILESO=C1COc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)c3)cc2N1
InChIInChI=1S/C18H14N4O3/c23-17-10-25-16-5-4-13(9-15(16)21-17)20-18(24)12-3-1-2-11(8-12)14-6-7-19-22-14/h1-9H,10H2,(H,19,22)(H,20,24)(H,21,23)
InChIKeyYQBVXWDKYJZKJT-UHFFFAOYSA-N
XLogP2.66
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-(1H-pyrazol-5-yl)benzamide
CID 59802661
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778271
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 39952263
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 42939881

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide (CID 59802884) is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide is O=C1COc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)c3)cc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide?
The InChIKey is YQBVXWDKYJZKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-17-10-25-16-5-4-13(9-15(16)21-17)20-18(24)12-3-1-2-11(8-12)14-6-7-19-22-14/h1-9H,10H2,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide?
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide has a molecular weight of 334.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 59802884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).