1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone

C14H14FNO3 — CID 58342482

IUPAC1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone
SMILESC=CCc1cc(C2=N[C@@H](C(=O)CO)CO2)ccc1F
InChIInChI=1S/C14H14FNO3/c1-2-3-9-6-10(4-5-11(9)15)14-16-12(8-19-14)13(18)7-17/h2,4-6,12,17H,1,3,7-8H2/t12-/m1/s1
InChIKeyCOLSPEJAFNNAED-GFCCVEGCSA-N
MW263.27 g/mol
LogP1.26
Rot. Bonds5

About 1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone

1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone (PubChem CID 58342482) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone
PubChem CID58342482
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone
SMILESC=CCc1cc(C2=N[C@@H](C(=O)CO)CO2)ccc1F
InChIInChI=1S/C14H14FNO3/c1-2-3-9-6-10(4-5-11(9)15)14-16-12(8-19-14)13(18)7-17/h2,4-6,12,17H,1,3,7-8H2/t12-/m1/s1
InChIKeyCOLSPEJAFNNAED-GFCCVEGCSA-N
XLogP1.26
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4S,5S)-5-ethenyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 44394839
(4S)-2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 53377459
[2-(2-Fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 19424089
[2-(4-Fluorophenyl)-1,3-oxazolin-4-yl]methan-1-ol
CID 22184743
(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 59697478
2-(4-Fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 82369315
methyl (4R)-2-(4-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 11053670
methyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 11140021
2-(3-Fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 24741425
2-(2-Fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 82369314
2-(3,4-Difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 82369337
(4S)-2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 96002218

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone (CID 58342482) is 1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone is C=CCc1cc(C2=N[C@@H](C(=O)CO)CO2)ccc1F.
What is the InChIKey of 1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone?
The InChIKey is COLSPEJAFNNAED-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-2-3-9-6-10(4-5-11(9)15)14-16-12(8-19-14)13(18)7-17/h2,4-6,12,17H,1,3,7-8H2/t12-/m1/s1.
What are the key properties of 1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone?
1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone has a molecular weight of 263.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2-(4-fluoro-3-prop-2-enylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-2-hydroxyethanone is sourced from PubChem (CID 58342482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).