2-methyl-1,3-benzoxazole-6-carboxamide

C9H8N2O2 — CID 82490560

IUPAC2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(N)=O)cc2o1
InChIInChI=1S/C9H8N2O2/c1-5-11-7-3-2-6(9(10)12)4-8(7)13-5/h2-4H,1H3,(H2,10,12)
InChIKeyPFLOBFVGNYAIBD-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.24
Rot. Bonds1

About 2-methyl-1,3-benzoxazole-6-carboxamide

2-methyl-1,3-benzoxazole-6-carboxamide (PubChem CID 82490560) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-methyl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-1,3-benzoxazole-6-carboxamide
PubChem CID82490560
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(N)=O)cc2o1
InChIInChI=1S/C9H8N2O2/c1-5-11-7-3-2-6(9(10)12)4-8(7)13-5/h2-4H,1H3,(H2,10,12)
InChIKeyPFLOBFVGNYAIBD-UHFFFAOYSA-N
XLogP1.24
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-methyl-1,3-benzoxazole-6-carboxamide (CID 82490560) is 2-methyl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-methyl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-methyl-1,3-benzoxazole-6-carboxamide is Cc1nc2ccc(C(N)=O)cc2o1.
What is the InChIKey of 2-methyl-1,3-benzoxazole-6-carboxamide?
The InChIKey is PFLOBFVGNYAIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-11-7-3-2-6(9(10)12)4-8(7)13-5/h2-4H,1H3,(H2,10,12).
What are the key properties of 2-methyl-1,3-benzoxazole-6-carboxamide?
2-methyl-1,3-benzoxazole-6-carboxamide has a molecular weight of 176.17 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 82490560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).