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

C12H10FNO4 — CID 124878175

IUPAC3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
SMILESC[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C12H10FNO4/c1-6(15)11-9(12(16)17)10(14-18-11)7-2-4-8(13)5-3-7/h2-6,15H,1H3,(H,16,17)/t6-/m0/s1
InChIKeyWWSCNSVEWAJQIE-LURJTMIESA-N
MW251.21 g/mol
LogP2.23
Rot. Bonds3

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

3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 124878175) has the molecular formula C12H10FNO4 and a molecular weight of 251.21 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
PubChem CID124878175
Molecular FormulaC12H10FNO4
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
SMILESC[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C12H10FNO4/c1-6(15)11-9(12(16)17)10(14-18-11)7-2-4-8(13)5-3-7/h2-6,15H,1H3,(H,16,17)/t6-/m0/s1
InChIKeyWWSCNSVEWAJQIE-LURJTMIESA-N
XLogP2.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid (CID 124878175) is 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid is C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)O.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is WWSCNSVEWAJQIE-LURJTMIESA-N. The full InChI is InChI=1S/C12H10FNO4/c1-6(15)11-9(12(16)17)10(14-18-11)7-2-4-8(13)5-3-7/h2-6,15H,1H3,(H,16,17)/t6-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid?
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 251.21 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 124878175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).