3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid

C12H12FNO3 — CID 84699923

IUPAC3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
SMILESO=C(O)CCC1=NCC(c2ccc(F)cc2)O1
InChIInChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)10-7-14-11(17-10)5-6-12(15)16/h1-4,10H,5-7H2,(H,15,16)
InChIKeyRGZJMRUQARDKAD-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.16
Rot. Bonds4

About 3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid

3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid (PubChem CID 84699923) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
PubChem CID84699923
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
SMILESO=C(O)CCC1=NCC(c2ccc(F)cc2)O1
InChIInChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)10-7-14-11(17-10)5-6-12(15)16/h1-4,10H,5-7H2,(H,15,16)
InChIKeyRGZJMRUQARDKAD-UHFFFAOYSA-N
XLogP2.16
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate
CID 162418646
(4S,5R)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 57955431
(4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 67501514
5-(4-Fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 67501516
2-Ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
CID 166814570
(2-Isocyanato-1-phenylethyl) 2,2,2-trifluoroacetate
CID 15578243
2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid
CID 24741426
2-[2-(4-Fluorophenyl)-3a,7a-dihydro-1,3-benzoxazol-5-yl]propanoic acid
CID 49875585
2-[5-(2-Fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 84688128
2-[5-(3-Fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 84688129
2-[5-(4-Fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 84688130
3-[5-(2-Fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
CID 84699921

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid (CID 84699923) is 3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid is O=C(O)CCC1=NCC(c2ccc(F)cc2)O1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is RGZJMRUQARDKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)10-7-14-11(17-10)5-6-12(15)16/h1-4,10H,5-7H2,(H,15,16).
What are the key properties of 3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid?
3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 237.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 84699923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).