(R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

C16H12F3N3O2 — CID 155220211

IUPAC(R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCc1ccc([C@H](O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)nc1
InChIInChI=1S/C16H12F3N3O2/c1-9-2-7-12(20-8-9)13(23)10-3-5-11(6-4-10)14-21-15(24-22-14)16(17,18)19/h2-8,13,23H,1H3/t13-/m1/s1
InChIKeyOGJWTVPWKHDADN-CYBMUJFWSA-N
MW335.29 g/mol
LogP3.54
Rot. Bonds3

About (R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

(R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 155220211) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is (R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name(R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID155220211
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name(R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCc1ccc([C@H](O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)nc1
InChIInChI=1S/C16H12F3N3O2/c1-9-2-7-12(20-8-9)13(23)10-3-5-11(6-4-10)14-21-15(24-22-14)16(17,18)19/h2-8,13,23H,1H3/t13-/m1/s1
InChIKeyOGJWTVPWKHDADN-CYBMUJFWSA-N
XLogP3.54
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol with MolForge

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Related Compounds

2-(Methyl{[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methyl}amino)-1-phenylethanol
CID 16188359
2-({[1-({3-[3-(Trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)-3-piperidinyl]oxy}methyl)pyridine
CID 16189777
(1-{[3-(Diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-piperidinyl)(2-pyridinyl)methanol
CID 16192038
US11066396, Example 418
CID 132257874
US11066396, Example 252
CID 132258148
US11066396, Example 361
CID 132258478
6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholin-4-yl]pyrimidin-4-one
CID 57877708
3-(2-Methylpyridin-4-yl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 71143145
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-2-ylprop-2-en-1-ol
CID 162675708
5-[[4-(Pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 42216216
3-Phenyl-1-(1-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}-4-piperidinyl)-1-propanol
CID 45169307
5-(4-Propylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 2742578

Frequently Asked Questions

What is the IUPAC name of (R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of (R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 155220211) is (R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for (R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for (R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is Cc1ccc([C@H](O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)nc1.
What is the InChIKey of (R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is OGJWTVPWKHDADN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-9-2-7-12(20-8-9)13(23)10-3-5-11(6-4-10)14-21-15(24-22-14)16(17,18)19/h2-8,13,23H,1H3/t13-/m1/s1.
What are the key properties of (R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
(R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 335.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 155220211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).