3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid

C11H8FNO3 — CID 96607582

IUPAC3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C11H8FNO3/c12-8-3-1-7(2-4-8)5-9-6-10(11(14)15)16-13-9/h1-4,6H,5H2,(H,14,15)
InChIKeyCGCKSMPTRVEOFI-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.10
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid

3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 96607582) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid
PubChem CID96607582
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Name3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C11H8FNO3/c12-8-3-1-7(2-4-8)5-9-6-10(11(14)15)16-13-9/h1-4,6H,5H2,(H,14,15)
InChIKeyCGCKSMPTRVEOFI-UHFFFAOYSA-N
XLogP2.10
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid (CID 96607582) is 3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(Cc2ccc(F)cc2)no1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is CGCKSMPTRVEOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c12-8-3-1-7(2-4-8)5-9-6-10(11(14)15)16-13-9/h1-4,6H,5H2,(H,14,15).
What are the key properties of 3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid?
3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 96607582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).