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

C10H8FNO3 — CID 115062171

IUPAC4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)C1=NC(c2cccc(F)c2)CO1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-15-9(12-8)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyKQMLLMKMTQDTHP-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.38
Rot. Bonds2

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

4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid (PubChem CID 115062171) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid
PubChem CID115062171
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)C1=NC(c2cccc(F)c2)CO1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-15-9(12-8)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyKQMLLMKMTQDTHP-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2H-1,4-Oxazin-2-one, 5,6-dihydro-5-phenyl-, (5S)-
CID 10942968
ethyl 3,3,3-trifluoro-2-[(1S)-2-hydroxy-1-phenylethyl]iminopropanoate
CID 168173998
ethyl 3,3,3-trifluoro-2-[(1R)-2-methoxy-1-phenylethyl]iminopropanoate
CID 49840963
2-[2-Amino-2-(2,5-difluorophenyl)ethoxy]acetic acid
CID 61327601
Methyl 2-[2-amino-2-(2,5-difluorophenyl)ethoxy]acetate
CID 61327790
Ethyl 2-[2-amino-2-(2,5-difluorophenyl)ethoxy]acetate
CID 61327791
2-[2-Amino-2-(2,4,6-trifluorophenyl)ethoxy]acetic acid
CID 61328381
Methyl 2-[2-amino-2-(2,4,6-trifluorophenyl)ethoxy]acetate
CID 61328382
Ethyl 2-[2-amino-2-(2,4,6-trifluorophenyl)ethoxy]acetate
CID 61328383
2-[2-Amino-2-(4-fluorophenyl)ethoxy]acetic acid
CID 61328963
Methyl 2-[2-amino-2-(4-fluorophenyl)ethoxy]acetate
CID 61329152
Ethyl 2-[2-amino-2-(4-fluorophenyl)ethoxy]acetate
CID 61329153

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid (CID 115062171) is 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid is O=C(O)C1=NC(c2cccc(F)c2)CO1.
What is the InChIKey of 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
The InChIKey is KQMLLMKMTQDTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-15-9(12-8)10(13)14/h1-4,8H,5H2,(H,13,14).
What are the key properties of 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid has a molecular weight of 209.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 115062171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).