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

C11H10FNO4 — CID 65096147

IUPAC3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(C2=NOC(C(=O)O)C2)cc1F
InChIInChI=1S/C11H10FNO4/c1-16-9-3-2-6(4-7(9)12)8-5-10(11(14)15)17-13-8/h2-4,10H,5H2,1H3,(H,14,15)
InChIKeyBUTHTOOFNXZMOG-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.41
Rot. Bonds3

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

3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 65096147) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID65096147
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(C2=NOC(C(=O)O)C2)cc1F
InChIInChI=1S/C11H10FNO4/c1-16-9-3-2-6(4-7(9)12)8-5-10(11(14)15)17-13-8/h2-4,10H,5H2,1H3,(H,14,15)
InChIKeyBUTHTOOFNXZMOG-UHFFFAOYSA-N
XLogP1.41
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078762
(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 1096397
3-(3,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 43150140
(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078820
1-(cyclopropylmethyl)-3-[[(5S)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 124739703
(5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 7259902
3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 3158063
3-(3,4-dibromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 19863025
[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17095924
(5S)-N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503706
3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 43380341
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 65096147) is 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is COc1ccc(C2=NOC(C(=O)O)C2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is BUTHTOOFNXZMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c1-16-9-3-2-6(4-7(9)12)8-5-10(11(14)15)17-13-8/h2-4,10H,5H2,1H3,(H,14,15).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 239.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 65096147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).