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

C9H11F3N2O — CID 105475180

IUPAC5-methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole
SMILESCc1oc(C2CCNC2)nc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-5-7(9(10,11)12)14-8(15-5)6-2-3-13-4-6/h6,13H,2-4H2,1H3
InChIKeyFWVOBZYGNGZGSZ-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.08
Rot. Bonds1

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

5-methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 105475180) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID105475180
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name5-methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole
SMILESCc1oc(C2CCNC2)nc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-5-7(9(10,11)12)14-8(15-5)6-2-3-13-4-6/h6,13H,2-4H2,1H3
InChIKeyFWVOBZYGNGZGSZ-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 5-methyl-2-pyrrolidin-3-yl-4-(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

Related Compounds

(3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120950962
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226435
2-[4-Methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine
CID 82401519
2-(4,5-Dimethyl-1,3-oxazol-2-yl)-2-fluoropropan-1-amine
CID 84021840
4-Methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole
CID 84685360
2-[5-(Fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
CID 84763991
2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
CID 84766256
1-[5-(Fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine
CID 84766257
3-[5-(Fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine
CID 84766260
2-[5-(Difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
CID 84767050
5-(Fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 84769389
1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
CID 84770090

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole (CID 105475180) is 5-methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole is Cc1oc(C2CCNC2)nc1C(F)(F)F.
What is the InChIKey of 5-methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is FWVOBZYGNGZGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5-7(9(10,11)12)14-8(15-5)6-2-3-13-4-6/h6,13H,2-4H2,1H3.
What are the key properties of 5-methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole?
5-methyl-2-pyrrolidin-3-yl-4-(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 5-methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 105475180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).