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

C10H13F3N2O — CID 84697417

IUPAC4-methyl-5-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)oc1C1CCCNC1
InChIInChI=1S/C10H13F3N2O/c1-6-8(7-3-2-4-14-5-7)16-9(15-6)10(11,12)13/h7,14H,2-5H2,1H3
InChIKeyCNMKVAUCHNRGGI-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.47
Rot. Bonds1

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

4-methyl-5-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 84697417) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-methyl-5-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole
PubChem CID84697417
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name4-methyl-5-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)oc1C1CCCNC1
InChIInChI=1S/C10H13F3N2O/c1-6-8(7-3-2-4-14-5-7)16-9(15-6)10(11,12)13/h7,14H,2-5H2,1H3
InChIKeyCNMKVAUCHNRGGI-UHFFFAOYSA-N
XLogP2.47
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-piperidin-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-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-methyl-5-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole (CID 84697417) is 4-methyl-5-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-methyl-5-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole is Cc1nc(C(F)(F)F)oc1C1CCCNC1.
What is the InChIKey of 4-methyl-5-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is CNMKVAUCHNRGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6-8(7-3-2-4-14-5-7)16-9(15-6)10(11,12)13/h7,14H,2-5H2,1H3.
What are the key properties of 4-methyl-5-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole?
4-methyl-5-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 234.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-piperidin-3-yl-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 84697417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).