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

C10H8FNO3 — CID 115061652

IUPAC5-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)C1=NCC(c2cccc(F)c2)O1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-12-9(15-8)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyPNWBSWSVAPDOMO-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.38
Rot. Bonds2

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

5-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid (PubChem CID 115061652) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid
PubChem CID115061652
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name5-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)C1=NCC(c2cccc(F)c2)O1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-12-9(15-8)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyPNWBSWSVAPDOMO-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

4-Ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one
CID 14363747
2-Phenyl-4-[(propan-2-yl)oxy]-2-(trifluoromethyl)-1,3-oxazol-5(2H)-one
CID 14363748
2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one
CID 14363752
ethyl 5-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole-2-carboxylate
CID 89781071
(2-Isocyanato-1-phenylethyl) 2,2,2-trifluoroacetate
CID 15578243
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
3-[5-(3-Fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
CID 84699922
3-[5-(4-Fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
CID 84699923
2-(2-Fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 84780404

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid (CID 115061652) is 5-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid is O=C(O)C1=NCC(c2cccc(F)c2)O1.
What is the InChIKey of 5-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
The InChIKey is PNWBSWSVAPDOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-12-9(15-8)10(13)14/h1-4,8H,5H2,(H,13,14).
What are the key properties of 5-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
5-(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 5-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 115061652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).