N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C38H28ClFN6O4S — CID 155528519

IUPACN-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1cc(-c2ccccn2)cc(-c2nnc(-c3ccc(C(=O)N[C@@H](Cn4ccnc4)c4ccc(-c5ccc(F)cc5)cc4Cl)cc3)o2)c1
InChIInChI=1S/C38H28ClFN6O4S/c1-51(48,49)31-19-28(34-4-2-3-15-42-34)18-29(20-31)38-45-44-37(50-38)26-7-5-25(6-8-26)36(47)43-35(22-46-17-16-41-23-46)32-14-11-27(21-33(32)39)24-9-12-30(40)13-10-24/h2-21,23,35H,22H2,1H3,(H,43,47)/t35-/m0/s1
InChIKeyWUNQUSCODBDDBU-DHUJRADRSA-N
MW719.20 g/mol
LogP7.70
Rot. Bonds10

About N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 155528519) has the molecular formula C38H28ClFN6O4S and a molecular weight of 719.20 g/mol. Its IUPAC name is N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID155528519
Molecular FormulaC38H28ClFN6O4S
Molecular Weight719.20 g/mol
Exact Mass718.16
IUPAC NameN-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1cc(-c2ccccn2)cc(-c2nnc(-c3ccc(C(=O)N[C@@H](Cn4ccnc4)c4ccc(-c5ccc(F)cc5)cc4Cl)cc3)o2)c1
InChIInChI=1S/C38H28ClFN6O4S/c1-51(48,49)31-19-28(34-4-2-3-15-42-34)18-29(20-31)38-45-44-37(50-38)26-7-5-25(6-8-26)36(47)43-35(22-46-17-16-41-23-46)32-14-11-27(21-33(32)39)24-9-12-30(40)13-10-24/h2-21,23,35H,22H2,1H3,(H,43,47)/t35-/m0/s1
InChIKeyWUNQUSCODBDDBU-DHUJRADRSA-N
XLogP7.70
TPSA132.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.20
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 139592939
N-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-[5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 145960367
N-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 145962839
N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 145980463
N-[(1R)-1-[2-chloro-4-(4-methylsulfonylphenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 145981754
N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 145991628
N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 155510992
4-[5-(3-bromo-5-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]benzamide
CID 155513568
N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 155531616
N-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 145962361
N-[(1R)-1-[4-chloro-6-(4-fluorophenyl)-3-pyridinyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 145987123
N-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-[5-(3-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 145960664

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 155528519) is N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CS(=O)(=O)c1cc(-c2ccccn2)cc(-c2nnc(-c3ccc(C(=O)N[C@@H](Cn4ccnc4)c4ccc(-c5ccc(F)cc5)cc4Cl)cc3)o2)c1.
What is the InChIKey of N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is WUNQUSCODBDDBU-DHUJRADRSA-N. The full InChI is InChI=1S/C38H28ClFN6O4S/c1-51(48,49)31-19-28(34-4-2-3-15-42-34)18-29(20-31)38-45-44-37(50-38)26-7-5-25(6-8-26)36(47)43-35(22-46-17-16-41-23-46)32-14-11-27(21-33(32)39)24-9-12-30(40)13-10-24/h2-21,23,35H,22H2,1H3,(H,43,47)/t35-/m0/s1.
What are the key properties of N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 719.20 g/mol, XLogP of 7.70, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-methylsulfonyl-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 155528519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).