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

C9H11F3N2O — CID 105475188

IUPAC4-methyl-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C2CCNC2)oc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-5-7(9(10,11)12)15-8(14-5)6-2-3-13-4-6/h6,13H,2-4H2,1H3
InChIKeyZVLHPQVIZOYHOH-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.08
Rot. Bonds1

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

4-methyl-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 105475188) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-methyl-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID105475188
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4-methyl-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C2CCNC2)oc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-5-7(9(10,11)12)15-8(14-5)6-2-3-13-4-6/h6,13H,2-4H2,1H3
InChIKeyZVLHPQVIZOYHOH-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

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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 4-methyl-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-methyl-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole (CID 105475188) is 4-methyl-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-methyl-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole is Cc1nc(C2CCNC2)oc1C(F)(F)F.
What is the InChIKey of 4-methyl-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is ZVLHPQVIZOYHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5-7(9(10,11)12)15-8(14-5)6-2-3-13-4-6/h6,13H,2-4H2,1H3.
What are the key properties of 4-methyl-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole?
4-methyl-2-pyrrolidin-3-yl-5-(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-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 105475188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).