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

C11H10FNO3 — CID 115060926

IUPAC2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)C1CN=C(Cc2ccc(F)cc2)O1
InChIInChI=1S/C11H10FNO3/c12-8-3-1-7(2-4-8)5-10-13-6-9(16-10)11(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyXGGWKEDQOMQTJQ-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.25
Rot. Bonds3

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

2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid (PubChem CID 115060926) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
PubChem CID115060926
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)C1CN=C(Cc2ccc(F)cc2)O1
InChIInChI=1S/C11H10FNO3/c12-8-3-1-7(2-4-8)5-10-13-6-9(16-10)11(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyXGGWKEDQOMQTJQ-UHFFFAOYSA-N
XLogP1.25
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 84780404
2-(4-Fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 84780405
2-(3-Fluorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 84780406
2-[3-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 115060685
2-[2-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 115060723
2-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 115060759
2-[[3-(Trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 115060837
2-[(3-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 115060840
2-[2-[(3-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]acetic acid
CID 115060848
3-[2-[(3-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid
CID 115060856
2-[[2-(Trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 115060882
2-[(2-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 115060884

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid (CID 115060926) is 2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid is O=C(O)C1CN=C(Cc2ccc(F)cc2)O1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The InChIKey is XGGWKEDQOMQTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-8-3-1-7(2-4-8)5-10-13-6-9(16-10)11(14)15/h1-4,9H,5-6H2,(H,14,15).
What are the key properties of 2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 115060926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).