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

C16H12F3N3O2 — CID 155220210

IUPAC(S)-(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-/m0/s1
InChIKeyOGJWTVPWKHDADN-ZDUSSCGKSA-N
MW335.29 g/mol
LogP3.54
Rot. Bonds3

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

(S)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 155220210) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is (S)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name(S)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID155220210
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name(S)-(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-/m0/s1
InChIKeyOGJWTVPWKHDADN-ZDUSSCGKSA-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

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Frequently Asked Questions

What is the IUPAC name of (S)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of (S)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 155220210) is (S)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for (S)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for (S)-(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 (S)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is OGJWTVPWKHDADN-ZDUSSCGKSA-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-/m0/s1.
What are the key properties of (S)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
(S)-(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 (S)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 155220210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).