5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol

C18H17F3N2O3 — CID 129156232

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol
SMILESCc1noc(C)c1C1=CN(Cc2ccccc2OC(F)(F)F)C(O)C=C1
InChIInChI=1S/C18H17F3N2O3/c1-11-17(12(2)26-22-11)14-7-8-16(24)23(10-14)9-13-5-3-4-6-15(13)25-18(19,20)21/h3-8,10,16,24H,9H2,1-2H3
InChIKeyWGSIAMLSIWAKBZ-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.92
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol (PubChem CID 129156232) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol
PubChem CID129156232
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol
SMILESCc1noc(C)c1C1=CN(Cc2ccccc2OC(F)(F)F)C(O)C=C1
InChIInChI=1S/C18H17F3N2O3/c1-11-17(12(2)26-22-11)14-7-8-16(24)23(10-14)9-13-5-3-4-6-15(13)25-18(19,20)21/h3-8,10,16,24H,9H2,1-2H3
InChIKeyWGSIAMLSIWAKBZ-UHFFFAOYSA-N
XLogP3.92
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol with MolForge

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Related Compounds

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[[2-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one
CID 76683423
3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 24556296
4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 65065655
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline
CID 156621301
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
(3S)-7-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]-7-azaspiro[3.5]nonan-3-ol
CID 164640023
1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
CID 28664405
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955496

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol (CID 129156232) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol is Cc1noc(C)c1C1=CN(Cc2ccccc2OC(F)(F)F)C(O)C=C1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol?
The InChIKey is WGSIAMLSIWAKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11-17(12(2)26-22-11)14-7-8-16(24)23(10-14)9-13-5-3-4-6-15(13)25-18(19,20)21/h3-8,10,16,24H,9H2,1-2H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol has a molecular weight of 366.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-2-ol is sourced from PubChem (CID 129156232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).