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

C17H14ClN3O2S — CID 8708537

IUPACN-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2noc(SCC(=O)Nc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-11-5-7-12(8-6-11)16-20-17(23-21-16)24-10-15(22)19-14-4-2-3-13(18)9-14/h2-9H,10H2,1H3,(H,19,22)
InChIKeyRAROSFXSYNWQDS-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.43
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide (PubChem CID 8708537) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide
PubChem CID8708537
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC NameN-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2noc(SCC(=O)Nc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-11-5-7-12(8-6-11)16-20-17(23-21-16)24-10-15(22)19-14-4-2-3-13(18)9-14/h2-9H,10H2,1H3,(H,19,22)
InChIKeyRAROSFXSYNWQDS-UHFFFAOYSA-N
XLogP4.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 21403822
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CID 46358080
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N-(3-chlorophenyl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5018511
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N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
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2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033
N-(3-chlorophenyl)-2-[[2-(4-methylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide
CID 53088884
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide (CID 8708537) is N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide is Cc1ccc(-c2noc(SCC(=O)Nc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is RAROSFXSYNWQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-11-5-7-12(8-6-11)16-20-17(23-21-16)24-10-15(22)19-14-4-2-3-13(18)9-14/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 359.84 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 8708537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).