N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide

C18H12N4O2 — CID 704842

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cnccn1
InChIInChI=1S/C18H12N4O2/c23-17(15-11-19-8-9-20-15)21-13-5-3-4-12(10-13)18-22-14-6-1-2-7-16(14)24-18/h1-11H,(H,21,23)
InChIKeyDCVOFGIYBFGTGQ-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.54
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 704842) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide
PubChem CID704842
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cnccn1
InChIInChI=1S/C18H12N4O2/c23-17(15-11-19-8-9-20-15)21-13-5-3-4-12(10-13)18-22-14-6-1-2-7-16(14)24-18/h1-11H,(H,21,23)
InChIKeyDCVOFGIYBFGTGQ-UHFFFAOYSA-N
XLogP3.54
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide (CID 704842) is N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cnccn1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is DCVOFGIYBFGTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-17(15-11-19-8-9-20-15)21-13-5-3-4-12(10-13)18-22-14-6-1-2-7-16(14)24-18/h1-11H,(H,21,23).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 704842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).