6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide

C12H8N4O4 — CID 112522745

IUPAC6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide
SMILESO=C(Nc1cccc2[nH]c(=O)oc12)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H8N4O4/c17-9-5-13-8(4-14-9)11(18)15-6-2-1-3-7-10(6)20-12(19)16-7/h1-5H,(H,14,17)(H,15,18)(H,16,19)
InChIKeyRZDXFNBBULSQHQ-UHFFFAOYSA-N
MW272.22 g/mol
LogP0.46
Rot. Bonds2

About 6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide

6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide (PubChem CID 112522745) has the molecular formula C12H8N4O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is 6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide
PubChem CID112522745
Molecular FormulaC12H8N4O4
Molecular Weight272.22 g/mol
Exact Mass272.05
IUPAC Name6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide
SMILESO=C(Nc1cccc2[nH]c(=O)oc12)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H8N4O4/c17-9-5-13-8(4-14-9)11(18)15-6-2-1-3-7-10(6)20-12(19)16-7/h1-5H,(H,14,17)(H,15,18)(H,16,19)
InChIKeyRZDXFNBBULSQHQ-UHFFFAOYSA-N
XLogP0.46
TPSA120.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 166386048
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide
CID 112522853
3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
CID 112522725
1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea
CID 110350578
6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide
CID 167969035
2-(4-aminopyrazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
CID 155962162
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide
CID 112522723
7-iodo-3H-1,3-benzoxazol-2-one
CID 130784539
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 112522739
4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 60826073
4-bromo-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 107812438
N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104625901

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide (CID 112522745) is 6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide is O=C(Nc1cccc2[nH]c(=O)oc12)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide?
The InChIKey is RZDXFNBBULSQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O4/c17-9-5-13-8(4-14-9)11(18)15-6-2-1-3-7-10(6)20-12(19)16-7/h1-5H,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of 6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide?
6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide has a molecular weight of 272.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 112522745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).