2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide

C12H8N4O3 — CID 110766430

IUPAC2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide
SMILESO=C(Nc1ncccn1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H8N4O3/c17-10(16-11-13-4-1-5-14-11)7-2-3-8-9(6-7)19-12(18)15-8/h1-6H,(H,15,18)(H,13,14,16,17)
InChIKeyAQBLCCGXROHDMK-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.16
Rot. Bonds2

About 2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide

2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide (PubChem CID 110766430) has the molecular formula C12H8N4O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide
PubChem CID110766430
Molecular FormulaC12H8N4O3
Molecular Weight256.22 g/mol
Exact Mass256.06
IUPAC Name2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide
SMILESO=C(Nc1ncccn1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C12H8N4O3/c17-10(16-11-13-4-1-5-14-11)7-2-3-8-9(6-7)19-12(18)15-8/h1-6H,(H,15,18)(H,13,14,16,17)
InChIKeyAQBLCCGXROHDMK-UHFFFAOYSA-N
XLogP1.16
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-benzimidazole-5-carboxamide
CID 110662054
N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 110766402
methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate
CID 110766421
2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide
CID 110695111
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
CID 50797084
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-indole-5-carboxamide
CID 112523027
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
CID 110678767
2-oxo-3H-1,3-benzoxazole-5-carbohydrazide
CID 116843327
6-(2,2-dibromoacetyl)-3H-1,3-benzoxazol-2-one
CID 116827127
4-fluoro-N-pyrimidin-2-ylbenzamide
CID 797393
N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
CID 29368084
2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide
CID 112522991

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide (CID 110766430) is 2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide is O=C(Nc1ncccn1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide?
The InChIKey is AQBLCCGXROHDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3/c17-10(16-11-13-4-1-5-14-11)7-2-3-8-9(6-7)19-12(18)15-8/h1-6H,(H,15,18)(H,13,14,16,17).
What are the key properties of 2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide?
2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide has a molecular weight of 256.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110766430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).