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

C17H19F3N2O2 — CID 95348668

IUPAC(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
SMILESCc1oc(-c2ccccc2)nc1CN1CCC[C@@](O)(C(F)(F)F)C1
InChIInChI=1S/C17H19F3N2O2/c1-12-14(21-15(24-12)13-6-3-2-4-7-13)10-22-9-5-8-16(23,11-22)17(18,19)20/h2-4,6-7,23H,5,8-11H2,1H3/t16-/m0/s1
InChIKeyCEBWCOCLLIEMPY-INIZCTEOSA-N
MW340.34 g/mol
LogP3.54
Rot. Bonds3

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

(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol (PubChem CID 95348668) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.34 g/mol. Its IUPAC name is (3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
PubChem CID95348668
Molecular FormulaC17H19F3N2O2
Molecular Weight340.34 g/mol
Exact Mass340.14
IUPAC Name(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
SMILESCc1oc(-c2ccccc2)nc1CN1CCC[C@@](O)(C(F)(F)F)C1
InChIInChI=1S/C17H19F3N2O2/c1-12-14(21-15(24-12)13-6-3-2-4-7-13)10-22-9-5-8-16(23,11-22)17(18,19)20/h2-4,6-7,23H,5,8-11H2,1H3/t16-/m0/s1
InChIKeyCEBWCOCLLIEMPY-INIZCTEOSA-N
XLogP3.54
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
CID 138032720
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
5-methyl-4-(pyrrolidin-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56758334
1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
CID 56866509
4-(1,4-diazepan-1-ylmethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole;dihydrochloride
CID 154889410
2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 56757456
2-(4-ethylphenyl)-5-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 163516668
5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
CID 24623437
N-butan-2-yl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134045473
3-methyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-3-carboxylic acid
CID 69171880
CID 145482247
CID 145482247
5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine
CID 164641050

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol?
The IUPAC name of (3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol (CID 95348668) is (3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol?
The canonical SMILES for (3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol is Cc1oc(-c2ccccc2)nc1CN1CCC[C@@](O)(C(F)(F)F)C1.
What is the InChIKey of (3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol?
The InChIKey is CEBWCOCLLIEMPY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-12-14(21-15(24-12)13-6-3-2-4-7-13)10-22-9-5-8-16(23,11-22)17(18,19)20/h2-4,6-7,23H,5,8-11H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol?
(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol has a molecular weight of 340.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol is sourced from PubChem (CID 95348668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).