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

C11H10FNO3 — CID 89082324

IUPAC3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
SMILESCC1ON=C(c2ccc(F)cc2)C1C(=O)O
InChIInChI=1S/C11H10FNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-6,9H,1H3,(H,14,15)
InChIKeyUBBZKMIKAXKWLP-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.65
Rot. Bonds2

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

3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid (PubChem CID 89082324) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
PubChem CID89082324
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
SMILESCC1ON=C(c2ccc(F)cc2)C1C(=O)O
InChIInChI=1S/C11H10FNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-6,9H,1H3,(H,14,15)
InChIKeyUBBZKMIKAXKWLP-UHFFFAOYSA-N
XLogP1.65
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid (CID 89082324) is 3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid is CC1ON=C(c2ccc(F)cc2)C1C(=O)O.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid?
The InChIKey is UBBZKMIKAXKWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-6,9H,1H3,(H,14,15).
What are the key properties of 3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid?
3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 89082324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).