2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid

C5H6FNO3 — CID 129175202

IUPAC2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)C1COC(CF)=N1
InChIInChI=1S/C5H6FNO3/c6-1-4-7-3(2-10-4)5(8)9/h3H,1-2H2,(H,8,9)
InChIKeyKLLUMCDNMVRRNN-UHFFFAOYSA-N
MW147.10 g/mol
LogP-0.16
Rot. Bonds2

About 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid

2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 129175202) has the molecular formula C5H6FNO3 and a molecular weight of 147.10 g/mol. Its IUPAC name is 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID129175202
Molecular FormulaC5H6FNO3
Molecular Weight147.10 g/mol
Exact Mass147.03
IUPAC Name2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)C1COC(CF)=N1
InChIInChI=1S/C5H6FNO3/c6-1-4-7-3(2-10-4)5(8)9/h3H,1-2H2,(H,8,9)
InChIKeyKLLUMCDNMVRRNN-UHFFFAOYSA-N
XLogP-0.16
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.10
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 129175202) is 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is O=C(O)C1COC(CF)=N1.
What is the InChIKey of 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is KLLUMCDNMVRRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO3/c6-1-4-7-3(2-10-4)5(8)9/h3H,1-2H2,(H,8,9).
What are the key properties of 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 147.10 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 129175202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).