4-fluoro-5-methyl-1,2-oxazole-3-carboxamide

C5H5FN2O2 — CID 175602751

IUPAC4-fluoro-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(N)=O)c1F
InChIInChI=1S/C5H5FN2O2/c1-2-3(6)4(5(7)9)8-10-2/h1H3,(H2,7,9)
InChIKeyVYYYCACFYBASLY-UHFFFAOYSA-N
MW144.10 g/mol
LogP0.22
Rot. Bonds1

About 4-fluoro-5-methyl-1,2-oxazole-3-carboxamide

4-fluoro-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 175602751) has the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID175602751
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
Exact Mass144.03
IUPAC Name4-fluoro-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(N)=O)c1F
InChIInChI=1S/C5H5FN2O2/c1-2-3(6)4(5(7)9)8-10-2/h1H3,(H2,7,9)
InChIKeyVYYYCACFYBASLY-UHFFFAOYSA-N
XLogP0.22
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-fluoro-5-methyl-1,2-oxazole-3-carboxamide (CID 175602751) is 4-fluoro-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-fluoro-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-fluoro-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(N)=O)c1F.
What is the InChIKey of 4-fluoro-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VYYYCACFYBASLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c1-2-3(6)4(5(7)9)8-10-2/h1H3,(H2,7,9).
What are the key properties of 4-fluoro-5-methyl-1,2-oxazole-3-carboxamide?
4-fluoro-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 144.10 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 175602751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).