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

C23H16F3N7O4 — CID 53496602

IUPAC2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(NCc1ncn[nH]1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIInChI=1S/C23H16F3N7O4/c24-23(25,26)16-17(12-4-2-1-3-5-12)32-36-19(16)22-30-20(33-37-22)14-8-6-13(7-9-14)18(34)21(35)27-10-15-28-11-29-31-15/h1-9,11,18,34H,10H2,(H,27,35)(H,28,29,31)
InChIKeyRTSCNJFHZBWRKI-UHFFFAOYSA-N
MW511.42 g/mol
LogP3.55
Rot. Bonds7

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

2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 53496602) has the molecular formula C23H16F3N7O4 and a molecular weight of 511.42 g/mol. Its IUPAC name is 2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID53496602
Molecular FormulaC23H16F3N7O4
Molecular Weight511.42 g/mol
Exact Mass511.12
IUPAC Name2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(NCc1ncn[nH]1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIInChI=1S/C23H16F3N7O4/c24-23(25,26)16-17(12-4-2-1-3-5-12)32-36-19(16)22-30-20(33-37-22)14-8-6-13(7-9-14)18(34)21(35)27-10-15-28-11-29-31-15/h1-9,11,18,34H,10H2,(H,27,35)(H,28,29,31)
InChIKeyRTSCNJFHZBWRKI-UHFFFAOYSA-N
XLogP3.55
TPSA155.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.42
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 53496602) is 2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(NCc1ncn[nH]1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1.
What is the InChIKey of 2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is RTSCNJFHZBWRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N7O4/c24-23(25,26)16-17(12-4-2-1-3-5-12)32-36-19(16)22-30-20(33-37-22)14-8-6-13(7-9-14)18(34)21(35)27-10-15-28-11-29-31-15/h1-9,11,18,34H,10H2,(H,27,35)(H,28,29,31).
What are the key properties of 2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 511.42 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 53496602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).