3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide

C12H9N5O3 — CID 38467954

IUPAC3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H9N5O3/c13-10-9(14-3-4-15-10)11(18)16-6-1-2-8-7(5-6)17-12(19)20-8/h1-5H,(H2,13,15)(H,16,18)(H,17,19)
InChIKeyDGCHFRMFGDPXCA-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.75
Rot. Bonds2

About 3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide

3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide (PubChem CID 38467954) has the molecular formula C12H9N5O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
PubChem CID38467954
Molecular FormulaC12H9N5O3
Molecular Weight271.24 g/mol
Exact Mass271.07
IUPAC Name3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H9N5O3/c13-10-9(14-3-4-15-10)11(18)16-6-1-2-8-7(5-6)17-12(19)20-8/h1-5H,(H2,13,15)(H,16,18)(H,17,19)
InChIKeyDGCHFRMFGDPXCA-UHFFFAOYSA-N
XLogP0.75
TPSA126.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide (CID 38467954) is 3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide?
The InChIKey is DGCHFRMFGDPXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O3/c13-10-9(14-3-4-15-10)11(18)16-6-1-2-8-7(5-6)17-12(19)20-8/h1-5H,(H2,13,15)(H,16,18)(H,17,19).
What are the key properties of 3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide?
3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide has a molecular weight of 271.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 38467954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).