2-(fluoromethyl)-1,3-oxazole-4-carboxamide

C5H5FN2O2 — CID 89048684

IUPAC2-(fluoromethyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(CF)n1
InChIInChI=1S/C5H5FN2O2/c6-1-4-8-3(2-10-4)5(7)9/h2H,1H2,(H2,7,9)
InChIKeyOOKMXQRHWCDAMV-UHFFFAOYSA-N
MW144.10 g/mol
LogP0.24
Rot. Bonds2

About 2-(fluoromethyl)-1,3-oxazole-4-carboxamide

2-(fluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 89048684) has the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(fluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID89048684
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
Exact Mass144.03
IUPAC Name2-(fluoromethyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(CF)n1
InChIInChI=1S/C5H5FN2O2/c6-1-4-8-3(2-10-4)5(7)9/h2H,1H2,(H2,7,9)
InChIKeyOOKMXQRHWCDAMV-UHFFFAOYSA-N
XLogP0.24
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(fluoromethyl)-1,3-oxazole-4-carboxamide (CID 89048684) is 2-(fluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(fluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(fluoromethyl)-1,3-oxazole-4-carboxamide is NC(=O)c1coc(CF)n1.
What is the InChIKey of 2-(fluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OOKMXQRHWCDAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c6-1-4-8-3(2-10-4)5(7)9/h2H,1H2,(H2,7,9).
What are the key properties of 2-(fluoromethyl)-1,3-oxazole-4-carboxamide?
2-(fluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 144.10 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 89048684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).