2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid

C9H12FNO4 — CID 170351279

IUPAC2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid
SMILESCOc1cc(C(F)(C(=O)O)C(C)C)on1
InChIInChI=1S/C9H12FNO4/c1-5(2)9(10,8(12)13)6-4-7(14-3)11-15-6/h4-5H,1-3H3,(H,12,13)
InChIKeyJMHCUBSEFXKWNO-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.59
Rot. Bonds4

About 2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid

2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid (PubChem CID 170351279) has the molecular formula C9H12FNO4 and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid
PubChem CID170351279
Molecular FormulaC9H12FNO4
Molecular Weight217.20 g/mol
Exact Mass217.08
IUPAC Name2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid
SMILESCOc1cc(C(F)(C(=O)O)C(C)C)on1
InChIInChI=1S/C9H12FNO4/c1-5(2)9(10,8(12)13)6-4-7(14-3)11-15-6/h4-5H,1-3H3,(H,12,13)
InChIKeyJMHCUBSEFXKWNO-UHFFFAOYSA-N
XLogP1.59
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic 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

2-(3-Methoxy-1,2-oxazol-5-yl)acetic acid
CID 20294504
Methyl 3-methyl-2-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)isoxazol-5-yl]butanoate
CID 139530876
Methyl 3-methyl-2-[3-(1,1,2,3,3,4,4,4-octafluoro-2-fluorooxybutyl)sulfanyloxy-1,2-oxazol-5-yl]butanoate
CID 156720344
2-[3-[[4-Fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]-1,2-oxazol-5-yl]-3-methylbutanoic acid
CID 156884972
Ethyl 3-methyl-2-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfanyloxy)-1,2-oxazol-5-yl]butanoate
CID 166459194
Methyl 3-methyl-2-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfanyloxy)-1,2-oxazol-5-yl]butanoate
CID 166535753
Methyl 3-methyl-2-[3-(1,2,2,3,3,4,4,4-octafluorobutylsulfanyloxy)-1,2-oxazol-5-yl]butanoate
CID 167081227
Fluoromethane;methanol;methyl 2-[3-(1,2,2,3,3,4,4-heptafluorobutylsulfanyloxy)-1,2-oxazol-5-yl]-3-methylbutanoate
CID 168903651
Methyl 3-methyl-2-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfinyloxy)-1,2-oxazol-5-yl]butanoate
CID 170578008
Methyl 3-methyl-2-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-1,2-oxazol-5-yl]butanoate
CID 176044299
Methyl 2-(3-fluorosulfonyloxy-1,2-oxazol-5-yl)-3-methylbutanoate
CID 178514730
Methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate
CID 158950532

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid?
The IUPAC name of 2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid (CID 170351279) is 2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid.
What is the SMILES notation for 2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid?
The canonical SMILES for 2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid is COc1cc(C(F)(C(=O)O)C(C)C)on1.
What is the InChIKey of 2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid?
The InChIKey is JMHCUBSEFXKWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO4/c1-5(2)9(10,8(12)13)6-4-7(14-3)11-15-6/h4-5H,1-3H3,(H,12,13).
What are the key properties of 2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid?
2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid has a molecular weight of 217.20 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoic acid is sourced from PubChem (CID 170351279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).