(2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide

C26H19F3N6O3 — CID 71258048

IUPAC(2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(NCc1ccccn1)[C@H](O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIInChI=1S/C26H19F3N6O3/c27-26(28,29)22-20(15-32-35(22)19-7-2-1-3-8-19)25-33-23(34-38-25)17-11-9-16(10-12-17)21(36)24(37)31-14-18-6-4-5-13-30-18/h1-13,15,21,36H,14H2,(H,31,37)/t21-/m1/s1
InChIKeyWNFCVARTPPMPMH-OAQYLSRUSA-N
MW520.47 g/mol
LogP4.35
Rot. Bonds7

About (2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide

(2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 71258048) has the molecular formula C26H19F3N6O3 and a molecular weight of 520.47 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID71258048
Molecular FormulaC26H19F3N6O3
Molecular Weight520.47 g/mol
Exact Mass520.15
IUPAC Name(2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(NCc1ccccn1)[C@H](O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIInChI=1S/C26H19F3N6O3/c27-26(28,29)22-20(15-32-35(22)19-7-2-1-3-8-19)25-33-23(34-38-25)17-11-9-16(10-12-17)21(36)24(37)31-14-18-6-4-5-13-30-18/h1-13,15,21,36H,14H2,(H,31,37)/t21-/m1/s1
InChIKeyWNFCVARTPPMPMH-OAQYLSRUSA-N
XLogP4.35
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of (2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide (CID 71258048) is (2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for (2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for (2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide is O=C(NCc1ccccn1)[C@H](O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1.
What is the InChIKey of (2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is WNFCVARTPPMPMH-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H19F3N6O3/c27-26(28,29)22-20(15-32-35(22)19-7-2-1-3-8-19)25-33-23(34-38-25)17-11-9-16(10-12-17)21(36)24(37)31-14-18-6-4-5-13-30-18/h1-13,15,21,36H,14H2,(H,31,37)/t21-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
(2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 520.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 71258048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).