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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Related Compounds

3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96609565
3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid
CID 96618745
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]methanone
CID 42211682
3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369608
3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid
CID 117215650
3-[(2-methylphenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96610767
3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid
CID 167721826
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 54918234
3-[4-[2,3-bis(4-fluorophenyl)-3-oxopropyl]phenyl]-1,2-oxazole-5-carboxylic acid
CID 70683307
5-[(4-fluorophenyl)methyl]furan-3-carboxylic acid;hydrobromide
CID 69141100
3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136985646
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid
CID 82291025

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).