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

C12H10FNO3 — CID 82083290

IUPAC5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1CCc1ccc(F)cc1
InChIInChI=1S/C12H10FNO3/c13-9-4-1-8(2-5-9)3-6-10-11(12(15)16)14-7-17-10/h1-2,4-5,7H,3,6H2,(H,15,16)
InChIKeyPLCAGILPTWYPRN-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.30
Rot. Bonds4

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

5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 82083290) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid
PubChem CID82083290
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1CCc1ccc(F)cc1
InChIInChI=1S/C12H10FNO3/c13-9-4-1-8(2-5-9)3-6-10-11(12(15)16)14-7-17-10/h1-2,4-5,7H,3,6H2,(H,15,16)
InChIKeyPLCAGILPTWYPRN-UHFFFAOYSA-N
XLogP2.30
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid
CID 117275266
3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid
CID 62709932
5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82087072
5-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 51492681
6-(4-fluorophenyl)hexanoic acid
CID 14739735
2-[2-(4-fluorophenyl)ethyl]benzoic acid
CID 22015801
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
6-(4-fluorophenyl)-3-hydroxyhexanoic acid
CID 69088979
[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 110244642
4-[(4-fluorophenyl)methoxy]-3-hydroxypyridine-2-carboxylic acid
CID 19960336
2-amino-5-(4-fluorophenyl)pentanoic acid
CID 83639572
11-(4-fluorophenyl)undecanamide
CID 144640590

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid (CID 82083290) is 5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1CCc1ccc(F)cc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is PLCAGILPTWYPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-9-4-1-8(2-5-9)3-6-10-11(12(15)16)14-7-17-10/h1-2,4-5,7H,3,6H2,(H,15,16).
What are the key properties of 5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid?
5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 235.21 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82083290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).