N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C12H10N4O3 — CID 55027632

IUPACN-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)Nc3ncc[nH]3)ccc2N1
InChIInChI=1S/C12H10N4O3/c17-10-6-19-9-5-7(1-2-8(9)15-10)11(18)16-12-13-3-4-14-12/h1-5H,6H2,(H,15,17)(H2,13,14,16,18)
InChIKeyOAXXROFVCWUNBI-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.99
Rot. Bonds2

About N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 55027632) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID55027632
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC NameN-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)Nc3ncc[nH]3)ccc2N1
InChIInChI=1S/C12H10N4O3/c17-10-6-19-9-5-7(1-2-8(9)15-10)11(18)16-12-13-3-4-14-12/h1-5H,6H2,(H,15,17)(H2,13,14,16,18)
InChIKeyOAXXROFVCWUNBI-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

3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 61393673
3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide
CID 30269288
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 31966312
3-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-4H-1,4-benzoxazine-7-carboxamide
CID 51078811
N-(1-hydroxypropan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418628
N-(1-hydroxybutan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418065
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 131946239
N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 139348095
3,4-difluoro-N-(1H-imidazol-2-yl)benzamide
CID 63565198
N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 26702181
2-methyl-2-[4-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696194

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 55027632) is N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide is O=C1COc2cc(C(=O)Nc3ncc[nH]3)ccc2N1.
What is the InChIKey of N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is OAXXROFVCWUNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-10-6-19-9-5-7(1-2-8(9)15-10)11(18)16-12-13-3-4-14-12/h1-5H,6H2,(H,15,17)(H2,13,14,16,18).
What are the key properties of N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-(1H-imidazol-2-yl)-3-oxo-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 N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 55027632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).