N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide

C16H12ClFN4O2S — CID 53153833

IUPACN-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCc1noc(-c2ccc(SCC(=O)Nc3ccc(F)c(Cl)c3)nc2)n1
InChIInChI=1S/C16H12ClFN4O2S/c1-9-20-16(24-22-9)10-2-5-15(19-7-10)25-8-14(23)21-11-3-4-13(18)12(17)6-11/h2-7H,8H2,1H3,(H,21,23)
InChIKeyBJEQLCYZYMIAJC-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.96
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 53153833) has the molecular formula C16H12ClFN4O2S and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID53153833
Molecular FormulaC16H12ClFN4O2S
Molecular Weight378.82 g/mol
Exact Mass378.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCc1noc(-c2ccc(SCC(=O)Nc3ccc(F)c(Cl)c3)nc2)n1
InChIInChI=1S/C16H12ClFN4O2S/c1-9-20-16(24-22-9)10-2-5-15(19-7-10)25-8-14(23)21-11-3-4-13(18)12(17)6-11/h2-7H,8H2,1H3,(H,21,23)
InChIKeyBJEQLCYZYMIAJC-UHFFFAOYSA-N
XLogP3.96
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153843
2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 95098183
N-(2,4-dichlorophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153883
N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153871
N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153937
N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411119
N-(3-chloro-4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 7959729
N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 43936813
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4027628
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(5-chloro-2-pyridinyl)sulfanyl]acetamide
CID 112815647
3-(3-chloro-4-fluorophenyl)-1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 53055165
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide (CID 53153833) is N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide is Cc1noc(-c2ccc(SCC(=O)Nc3ccc(F)c(Cl)c3)nc2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is BJEQLCYZYMIAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2S/c1-9-20-16(24-22-9)10-2-5-15(19-7-10)25-8-14(23)21-11-3-4-13(18)12(17)6-11/h2-7H,8H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 378.82 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 53153833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).