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

C12H8N4O2 — CID 110744615

IUPACN-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc2ncoc2c1)c1cnccn1
InChIInChI=1S/C12H8N4O2/c17-12(10-6-13-3-4-14-10)16-8-1-2-9-11(5-8)18-7-15-9/h1-7H,(H,16,17)
InChIKeyATVRXHSCDNLXJJ-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.87
Rot. Bonds2

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

N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide (PubChem CID 110744615) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
PubChem CID110744615
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC NameN-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc2ncoc2c1)c1cnccn1
InChIInChI=1S/C12H8N4O2/c17-12(10-6-13-3-4-14-10)16-8-1-2-9-11(5-8)18-7-15-9/h1-7H,(H,16,17)
InChIKeyATVRXHSCDNLXJJ-UHFFFAOYSA-N
XLogP1.87
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride
CID 110778910
N-(1,3-benzoxazol-6-yl)-4-cyanopyridine-2-carboxamide
CID 115116784
1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
N-(1,3-benzoxazol-6-yl)-5-chloro-2-hydroxybenzamide
CID 175430925
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
N-(4-sulfanylphenyl)pyrazine-2-carboxamide
CID 137223268
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide
CID 110728841

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide (CID 110744615) is N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide is O=C(Nc1ccc2ncoc2c1)c1cnccn1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide?
The InChIKey is ATVRXHSCDNLXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-12(10-6-13-3-4-14-10)16-8-1-2-9-11(5-8)18-7-15-9/h1-7H,(H,16,17).
What are the key properties of N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide?
N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 110744615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).