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

C22H17F3N4O5 — CID 53496459

IUPAC2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESO=C(NCCO)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIInChI=1S/C22H17F3N4O5/c23-22(24,25)15-16(12-4-2-1-3-5-12)28-33-18(15)21-27-19(29-34-21)14-8-6-13(7-9-14)17(31)20(32)26-10-11-30/h1-9,17,30-31H,10-11H2,(H,26,32)
InChIKeyZHTTYLCDZHOSBW-UHFFFAOYSA-N
MW474.40 g/mol
LogP3.22
Rot. Bonds7

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

2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 53496459) has the molecular formula C22H17F3N4O5 and a molecular weight of 474.40 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID53496459
Molecular FormulaC22H17F3N4O5
Molecular Weight474.40 g/mol
Exact Mass474.12
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESO=C(NCCO)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIInChI=1S/C22H17F3N4O5/c23-22(24,25)15-16(12-4-2-1-3-5-12)28-33-18(15)21-27-19(29-34-21)14-8-6-13(7-9-14)17(31)20(32)26-10-11-30/h1-9,17,30-31H,10-11H2,(H,26,32)
InChIKeyZHTTYLCDZHOSBW-UHFFFAOYSA-N
XLogP3.22
TPSA134.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.40
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 53496459) is 2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is O=C(NCCO)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is ZHTTYLCDZHOSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O5/c23-22(24,25)15-16(12-4-2-1-3-5-12)28-33-18(15)21-27-19(29-34-21)14-8-6-13(7-9-14)17(31)20(32)26-10-11-30/h1-9,17,30-31H,10-11H2,(H,26,32).
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 474.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 53496459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).