3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide

C12H10N4O3 — CID 61393673

IUPAC3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)Nc3ccn[nH]3)ccc2N1
InChIInChI=1S/C12H10N4O3/c17-11-6-19-9-5-7(1-2-8(9)14-11)12(18)15-10-3-4-13-16-10/h1-5H,6H2,(H,14,17)(H2,13,15,16,18)
InChIKeyLMZQMMJLLVUAFV-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.99
Rot. Bonds2

About 3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide

3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 61393673) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
PubChem CID61393673
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)Nc3ccn[nH]3)ccc2N1
InChIInChI=1S/C12H10N4O3/c17-11-6-19-9-5-7(1-2-8(9)14-11)12(18)15-10-3-4-13-16-10/h1-5H,6H2,(H,14,17)(H2,13,15,16,18)
InChIKeyLMZQMMJLLVUAFV-UHFFFAOYSA-N
XLogP0.99
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55027632
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 31966312
2-methyl-2-[4-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696194
7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 61393952
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
3-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-4H-1,4-benzoxazine-7-carboxamide
CID 51078811
3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide
CID 30269288
7-(4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one
CID 3087782
N-(1H-pyrazol-5-yl)naphthalene-2-carboxamide
CID 61393106
N-(1-hydroxypropan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418628
N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 26702181
N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 27335225

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of 3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide (CID 61393673) is 3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for 3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for 3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide is O=C1COc2cc(C(=O)Nc3ccn[nH]3)ccc2N1.
What is the InChIKey of 3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is LMZQMMJLLVUAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-11-6-19-9-5-7(1-2-8(9)14-11)12(18)15-10-3-4-13-16-10/h1-5H,6H2,(H,14,17)(H2,13,15,16,18).
What are the key properties of 3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide?
3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 61393673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).