2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid

C10H8FNO3 — CID 84780405

IUPAC2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)C1CN=C(c2ccc(F)cc2)O1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)9-12-5-8(15-9)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyKDTGSCPFZVOWAX-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.06
Rot. Bonds2

About 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid

2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid (PubChem CID 84780405) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
PubChem CID84780405
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)C1CN=C(c2ccc(F)cc2)O1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)9-12-5-8(15-9)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyKDTGSCPFZVOWAX-UHFFFAOYSA-N
XLogP1.06
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-4,5-dihydro-oxazole-4,5-dicarboxylic acid
CID 10354033
4-Hydroxy-2-phenyl-4-trifluoromethyl-4,5-dihydro-oxazole-5-carboxylic acid ethyl ester
CID 67536582
2-(4-Fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 82369315
2-[5-[2-[(4-Fluorophenyl)methoxy]ethylimino]cyclohexa-1,3-dien-1-yl]oxyacetic acid
CID 156779143
(5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate
CID 172835630
(2-Phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate
CID 24976673
(1R)-1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethane-1,2-diol
CID 101550255
cis-2-Phenyl-4-tridecyl-5-carboxy-2-oxazoline
CID 129727862
Methyl 5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate
CID 10753120
2-(3-Fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 24741425
2-[2-(4-Fluorophenyl)-3a,7a-dihydro-1,3-benzoxazol-5-yl]propanoic acid
CID 49875585
(2-Fluorophenyl)methyl 3-amino-2-hydroxypropanoate
CID 66165396

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid (CID 84780405) is 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid is O=C(O)C1CN=C(c2ccc(F)cc2)O1.
What is the InChIKey of 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The InChIKey is KDTGSCPFZVOWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)9-12-5-8(15-9)10(13)14/h1-4,8H,5H2,(H,13,14).
What are the key properties of 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid has a molecular weight of 209.18 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 84780405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).