2-methyl-1,3-oxazole-4-carboxamide

C5H6N2O2 — CID 10796748

IUPAC2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(N)=O)co1
InChIInChI=1S/C5H6N2O2/c1-3-7-4(2-9-3)5(6)8/h2H,1H3,(H2,6,8)
InChIKeyOBFUZQPNGSXDLY-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.08
Rot. Bonds1

About 2-methyl-1,3-oxazole-4-carboxamide

2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 10796748) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-1,3-oxazole-4-carboxamide
PubChem CID10796748
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(N)=O)co1
InChIInChI=1S/C5H6N2O2/c1-3-7-4(2-9-3)5(6)8/h2H,1H3,(H2,6,8)
InChIKeyOBFUZQPNGSXDLY-UHFFFAOYSA-N
XLogP0.08
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.08
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-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-1,3-oxazole-4-carboxamide (CID 10796748) is 2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(N)=O)co1.
What is the InChIKey of 2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is OBFUZQPNGSXDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-7-4(2-9-3)5(6)8/h2H,1H3,(H2,6,8).
What are the key properties of 2-methyl-1,3-oxazole-4-carboxamide?
2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 126.11 g/mol, XLogP of 0.08, 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-oxazole-4-carboxamide is sourced from PubChem (CID 10796748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).