2,1-benzoxazole-7-carboxamide

C8H6N2O2 — CID 68873246

IUPAC2,1-benzoxazole-7-carboxamide
SMILESNC(=O)c1cccc2conc12
InChIInChI=1S/C8H6N2O2/c9-8(11)6-3-1-2-5-4-12-10-7(5)6/h1-4H,(H2,9,11)
InChIKeyMXKAKVCTGGYRIK-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.93
Rot. Bonds1

About 2,1-benzoxazole-7-carboxamide

2,1-benzoxazole-7-carboxamide (PubChem CID 68873246) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 2,1-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name2,1-benzoxazole-7-carboxamide
PubChem CID68873246
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name2,1-benzoxazole-7-carboxamide
SMILESNC(=O)c1cccc2conc12
InChIInChI=1S/C8H6N2O2/c9-8(11)6-3-1-2-5-4-12-10-7(5)6/h1-4H,(H2,9,11)
InChIKeyMXKAKVCTGGYRIK-UHFFFAOYSA-N
XLogP0.93
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,1-benzoxazole-7-carboxamide?
The IUPAC name of 2,1-benzoxazole-7-carboxamide (CID 68873246) is 2,1-benzoxazole-7-carboxamide.
What is the SMILES notation for 2,1-benzoxazole-7-carboxamide?
The canonical SMILES for 2,1-benzoxazole-7-carboxamide is NC(=O)c1cccc2conc12.
What is the InChIKey of 2,1-benzoxazole-7-carboxamide?
The InChIKey is MXKAKVCTGGYRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c9-8(11)6-3-1-2-5-4-12-10-7(5)6/h1-4H,(H2,9,11).
What are the key properties of 2,1-benzoxazole-7-carboxamide?
2,1-benzoxazole-7-carboxamide has a molecular weight of 162.15 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1-benzoxazole-7-carboxamide is sourced from PubChem (CID 68873246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).