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

C12H12FNO3 — CID 115060769

IUPAC3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCC1CN=C(c2ccc(F)cc2)O1
InChIInChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)12-14-7-10(17-12)5-6-11(15)16/h1-4,10H,5-7H2,(H,15,16)
InChIKeyMSBSQHPXWXMRKE-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.84
Rot. Bonds4

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

3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid (PubChem CID 115060769) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid
PubChem CID115060769
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCC1CN=C(c2ccc(F)cc2)O1
InChIInChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)12-14-7-10(17-12)5-6-11(15)16/h1-4,10H,5-7H2,(H,15,16)
InChIKeyMSBSQHPXWXMRKE-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid
CID 46889284
2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
CID 139259603
Benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate
CID 162418646
3-[2-(4-Fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propanoic acid
CID 68304908
2-(4-Fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 82369315
4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 11736477
methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate
CID 24740990
2-(3-Fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 24741425
2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylic acid
CID 24741426
2-(2-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
CID 25186481
2-[2-(4-Fluorophenyl)-3a,7a-dihydro-1,3-benzoxazol-5-yl]propanoic acid
CID 49875585
2-(2-Fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 82369314

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid (CID 115060769) is 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid is O=C(O)CCC1CN=C(c2ccc(F)cc2)O1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid?
The InChIKey is MSBSQHPXWXMRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)12-14-7-10(17-12)5-6-11(15)16/h1-4,10H,5-7H2,(H,15,16).
What are the key properties of 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid?
3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid has a molecular weight of 237.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 115060769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).