2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid

C27H20F6N6O6 — CID 53496862

IUPAC2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCn1cncc1CNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H19F3N6O4.C2HF3O2/c1-34-13-29-11-17(34)12-30-23(36)20(35)15-7-9-16(10-8-15)22-31-24(38-33-22)21-18(25(26,27)28)19(32-37-21)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-11,13,20,35H,12H2,1H3,(H,30,36);(H,6,7)
InChIKeyAYCXGZHSWCRCFK-UHFFFAOYSA-N
MW638.48 g/mol
LogP4.79
Rot. Bonds7

About 2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid

2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 53496862) has the molecular formula C27H20F6N6O6 and a molecular weight of 638.48 g/mol. Its IUPAC name is 2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID53496862
Molecular FormulaC27H20F6N6O6
Molecular Weight638.48 g/mol
Exact Mass638.13
IUPAC Name2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCn1cncc1CNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H19F3N6O4.C2HF3O2/c1-34-13-29-11-17(34)12-30-23(36)20(35)15-7-9-16(10-8-15)22-31-24(38-33-22)21-18(25(26,27)28)19(32-37-21)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-11,13,20,35H,12H2,1H3,(H,30,36);(H,6,7)
InChIKeyAYCXGZHSWCRCFK-UHFFFAOYSA-N
XLogP4.79
TPSA169.40 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.48
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid (CID 53496862) is 2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid is Cn1cncc1CNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is AYCXGZHSWCRCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O4.C2HF3O2/c1-34-13-29-11-17(34)12-30-23(36)20(35)15-7-9-16(10-8-15)22-31-24(38-33-22)21-18(25(26,27)28)19(32-37-21)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-11,13,20,35H,12H2,1H3,(H,30,36);(H,6,7).
What are the key properties of 2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?
2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 638.48 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53496862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).