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

C26H18F3N5O4 — CID 53495944

IUPAC2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(NCc1cccnc1)C(O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIInChI=1S/C26H18F3N5O4/c27-26(28,29)19-20(33-37-22(19)17-6-2-1-3-7-17)25-32-23(34-38-25)18-10-8-16(9-11-18)21(35)24(36)31-14-15-5-4-12-30-13-15/h1-13,21,35H,14H2,(H,31,36)
InChIKeyPYJDSRXIZFWPNN-UHFFFAOYSA-N
MW521.46 g/mol
LogP4.82
Rot. Bonds7

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

2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 53495944) has the molecular formula C26H18F3N5O4 and a molecular weight of 521.46 g/mol. Its IUPAC name is 2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID53495944
Molecular FormulaC26H18F3N5O4
Molecular Weight521.46 g/mol
Exact Mass521.13
IUPAC Name2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(NCc1cccnc1)C(O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIInChI=1S/C26H18F3N5O4/c27-26(28,29)19-20(33-37-22(19)17-6-2-1-3-7-17)25-32-23(34-38-25)18-10-8-16(9-11-18)21(35)24(36)31-14-15-5-4-12-30-13-15/h1-13,21,35H,14H2,(H,31,36)
InChIKeyPYJDSRXIZFWPNN-UHFFFAOYSA-N
XLogP4.82
TPSA127.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide (CID 53495944) is 2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide is O=C(NCc1cccnc1)C(O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1.
What is the InChIKey of 2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is PYJDSRXIZFWPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N5O4/c27-26(28,29)19-20(33-37-22(19)17-6-2-1-3-7-17)25-32-23(34-38-25)18-10-8-16(9-11-18)21(35)24(36)31-14-15-5-4-12-30-13-15/h1-13,21,35H,14H2,(H,31,36).
What are the key properties of 2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide?
2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 521.46 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 53495944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).