1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol

C12H17F3N2O2 — CID 138032720

IUPAC1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
SMILESCc1nc(CN2CCCC(O)(C(F)(F)F)C2)c(C)o1
InChIInChI=1S/C12H17F3N2O2/c1-8-10(16-9(2)19-8)6-17-5-3-4-11(18,7-17)12(13,14)15/h18H,3-7H2,1-2H3
InChIKeyIPUDBWISOVYRRU-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.18
Rot. Bonds2

About 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol

1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol (PubChem CID 138032720) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
PubChem CID138032720
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
SMILESCc1nc(CN2CCCC(O)(C(F)(F)F)C2)c(C)o1
InChIInChI=1S/C12H17F3N2O2/c1-8-10(16-9(2)19-8)6-17-5-3-4-11(18,7-17)12(13,14)15/h18H,3-7H2,1-2H3
InChIKeyIPUDBWISOVYRRU-UHFFFAOYSA-N
XLogP2.18
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol 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 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol?
The IUPAC name of 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol (CID 138032720) is 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol.
What is the SMILES notation for 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol?
The canonical SMILES for 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol is Cc1nc(CN2CCCC(O)(C(F)(F)F)C2)c(C)o1.
What is the InChIKey of 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol?
The InChIKey is IPUDBWISOVYRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-8-10(16-9(2)19-8)6-17-5-3-4-11(18,7-17)12(13,14)15/h18H,3-7H2,1-2H3.
What are the key properties of 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol?
1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol has a molecular weight of 278.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol is sourced from PubChem (CID 138032720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).