N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide

C15H12ClN3O2S — CID 43819078

IUPACN-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1noc(-c2cccs2)n1
InChIInChI=1S/C15H12ClN3O2S/c1-9-10(16)4-2-5-11(9)17-14(20)8-13-18-15(21-19-13)12-6-3-7-22-12/h2-7H,8H2,1H3,(H,17,20)
InChIKeyCZXYNSCBNHHLRQ-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.94
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide

N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 43819078) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID43819078
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1noc(-c2cccs2)n1
InChIInChI=1S/C15H12ClN3O2S/c1-9-10(16)4-2-5-11(9)17-14(20)8-13-18-15(21-19-13)12-6-3-7-22-12/h2-7H,8H2,1H3,(H,17,20)
InChIKeyCZXYNSCBNHHLRQ-UHFFFAOYSA-N
XLogP3.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 27210520
N-(3-chloro-2-methylphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995847
N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 27210770
N-(2,3-dichlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 27211747
N-(3-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8574853
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 24627985
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-[(4-pyrrol-1-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 26843353
N-(3-chloro-2-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 78723149
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate
CID 47054237
N-(3-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879203

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide (CID 43819078) is N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide is Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2cccs2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is CZXYNSCBNHHLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-9-10(16)4-2-5-11(9)17-14(20)8-13-18-15(21-19-13)12-6-3-7-22-12/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 333.80 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 43819078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).