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

C11H10FNO3 — CID 115062198

IUPAC4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)C1=NC(Cc2cccc(F)c2)CO1
InChIInChI=1S/C11H10FNO3/c12-8-3-1-2-7(4-8)5-9-6-16-10(13-9)11(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyHBPWSYUFZHJMBK-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.25
Rot. Bonds3

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

4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid (PubChem CID 115062198) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid
PubChem CID115062198
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)C1=NC(Cc2cccc(F)c2)CO1
InChIInChI=1S/C11H10FNO3/c12-8-3-1-2-7(4-8)5-9-6-16-10(13-9)11(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyHBPWSYUFZHJMBK-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-Amino-2-(2,5-difluorophenyl)ethoxy]acetic acid
CID 61327601
2-[2-Amino-2-(4-fluorophenyl)ethoxy]acetic acid
CID 61328963
2-[2-Amino-2-(2,4-difluorophenyl)ethoxy]acetic acid
CID 61329155
2-[2-Amino-2-(3,4-difluorophenyl)ethoxy]acetic acid
CID 61329352
2-[(3-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 115060840
2-[(2-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 115060884
2-[(4-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 115060926
5-(3-Fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid
CID 115061652
5-(2-Fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid
CID 115061659
5-(4-Fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid
CID 115061666
5-[[3-(Trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid
CID 115061677
5-[(3-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid
CID 115061680

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid (CID 115062198) is 4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid is O=C(O)C1=NC(Cc2cccc(F)c2)CO1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
The InChIKey is HBPWSYUFZHJMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-8-3-1-2-7(4-8)5-9-6-16-10(13-9)11(14)15/h1-4,9H,5-6H2,(H,14,15).
What are the key properties of 4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-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 4-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 115062198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).