methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate

C7H6F3NO3 — CID 130141005

IUPACmethyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(C)c1C(F)(F)F
InChIInChI=1S/C7H6F3NO3/c1-3-4(7(8,9)10)5(11-14-3)6(12)13-2/h1-2H3
InChIKeyKORGSPVXZITZFH-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.79
Rot. Bonds1

About methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate

methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate (PubChem CID 130141005) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate
PubChem CID130141005
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC Namemethyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(C)c1C(F)(F)F
InChIInChI=1S/C7H6F3NO3/c1-3-4(7(8,9)10)5(11-14-3)6(12)13-2/h1-2H3
InChIKeyKORGSPVXZITZFH-UHFFFAOYSA-N
XLogP1.79
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate 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

3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester
CID 27536
Methyl 4-iodo-5-methyl-1,2-oxazole-3-carboxylate
CID 44523001
Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate
CID 2799417
4,5-Dimethyl-isoxazole-3-carboxylic acid
CID 7018552
4-(Methoxymethyl)-5-methyl-3-isoxazolecarboxylic acid
CID 16490802
Methyl 4-bromo-5-methyl-1,2-oxazole-3-carboxylate
CID 25220796
Methyl 4-(chloromethyl)-5-methyl-1,2-oxazole-3-carboxylate
CID 50896490
Methyl (3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 23006335
Ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate
CID 10489040
Methyl 4-ethoxycarbonyl-5-methylisoxazole-3-carboxylate
CID 15682534
Methyl 4-acetyl-3-(trifluoromethyl)-1,2-oxazole-5-carboxylate
CID 85608571
3,4-Isoxazoledicarboxylic acid, 5-methyl-, 3-ethyl 4-methyl ester
CID 5325762

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate (CID 130141005) is methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate is COC(=O)c1noc(C)c1C(F)(F)F.
What is the InChIKey of methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate?
The InChIKey is KORGSPVXZITZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c1-3-4(7(8,9)10)5(11-14-3)6(12)13-2/h1-2H3.
What are the key properties of methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate?
methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate has a molecular weight of 209.12 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 130141005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).