N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C19H13ClF3N5O2S — CID 155810986

IUPACN-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(Cn2c(C(F)(F)F)nc3ccccc32)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H13ClF3N5O2S/c20-11-5-7-12(8-6-11)24-15(29)10-31-18-27-26-16(30-18)9-28-14-4-2-1-3-13(14)25-17(28)19(21,22)23/h1-8H,9-10H2,(H,24,29)
InChIKeyLRCHREQAUMCNKC-UHFFFAOYSA-N
MW467.86 g/mol
LogP4.87
Rot. Bonds6

About N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 155810986) has the molecular formula C19H13ClF3N5O2S and a molecular weight of 467.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID155810986
Molecular FormulaC19H13ClF3N5O2S
Molecular Weight467.86 g/mol
Exact Mass467.04
IUPAC NameN-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(Cn2c(C(F)(F)F)nc3ccccc32)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H13ClF3N5O2S/c20-11-5-7-12(8-6-11)24-15(29)10-31-18-27-26-16(30-18)9-28-14-4-2-1-3-13(14)25-17(28)19(21,22)23/h1-8H,9-10H2,(H,24,29)
InChIKeyLRCHREQAUMCNKC-UHFFFAOYSA-N
XLogP4.87
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.86
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 21215184
N-(4-chlorophenyl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78804689
2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43952745
N-(4-chlorophenyl)-2-[[5-[(4-methoxyanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1130152
N-(4-chlorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8708507
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46731944
2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 1300357
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 43040516
4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide
CID 31965173
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
CID 56735774
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 102630125
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 7994747

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 155810986) is N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(Cn2c(C(F)(F)F)nc3ccccc32)o1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is LRCHREQAUMCNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5O2S/c20-11-5-7-12(8-6-11)24-15(29)10-31-18-27-26-16(30-18)9-28-14-4-2-1-3-13(14)25-17(28)19(21,22)23/h1-8H,9-10H2,(H,24,29).
What are the key properties of N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 467.86 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 155810986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).