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

C9H11F3N2O — CID 84685360

IUPAC4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)oc1C1CCNC1
InChIInChI=1S/C9H11F3N2O/c1-5-7(6-2-3-13-4-6)15-8(14-5)9(10,11)12/h6,13H,2-4H2,1H3
InChIKeyFGMPNEPIUNQLNI-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.08
Rot. Bonds1

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

4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 84685360) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole
PubChem CID84685360
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)oc1C1CCNC1
InChIInChI=1S/C9H11F3N2O/c1-5-7(6-2-3-13-4-6)15-8(14-5)9(10,11)12/h6,13H,2-4H2,1H3
InChIKeyFGMPNEPIUNQLNI-UHFFFAOYSA-N
XLogP2.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole (CID 84685360) is 4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole is Cc1nc(C(F)(F)F)oc1C1CCNC1.
What is the InChIKey of 4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is FGMPNEPIUNQLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5-7(6-2-3-13-4-6)15-8(14-5)9(10,11)12/h6,13H,2-4H2,1H3.
What are the key properties of 4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole?
4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 220.19 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 84685360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).