3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide

C16H14ClN3O2S — CID 91814343

IUPAC3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide
SMILESCc1noc(-c2ccsc2NC(=O)CCc2cccc(Cl)c2)n1
InChIInChI=1S/C16H14ClN3O2S/c1-10-18-15(22-20-10)13-7-8-23-16(13)19-14(21)6-5-11-3-2-4-12(17)9-11/h2-4,7-9H,5-6H2,1H3,(H,19,21)
InChIKeyMAMSPTIZWREPPD-UHFFFAOYSA-N
MW347.83 g/mol
LogP4.33
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide

3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide (PubChem CID 91814343) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide
PubChem CID91814343
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide
SMILESCc1noc(-c2ccsc2NC(=O)CCc2cccc(Cl)c2)n1
InChIInChI=1S/C16H14ClN3O2S/c1-10-18-15(22-20-10)13-7-8-23-16(13)19-14(21)6-5-11-3-2-4-12(17)9-11/h2-4,7-9H,5-6H2,1H3,(H,19,21)
InChIKeyMAMSPTIZWREPPD-UHFFFAOYSA-N
XLogP4.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4-fluorophenyl)thio)-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)acetamide
CID 86264863
N-(4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)-2-(naphthalen-1-yl)acetamide
CID 46869076
2-chloro-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
CID 76150368
Methyl 4-{[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl}benzoate
CID 86264845
N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)-2-phenylacetamide
CID 86264857
4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
CID 86264858
3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53009259
4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
CID 53042283
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
CID 86264848
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide
CID 86264851
2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
CID 91814341
2,3,4-trifluoro-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)benzamide
CID 91814344

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide (CID 91814343) is 3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide is Cc1noc(-c2ccsc2NC(=O)CCc2cccc(Cl)c2)n1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide?
The InChIKey is MAMSPTIZWREPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-10-18-15(22-20-10)13-7-8-23-16(13)19-14(21)6-5-11-3-2-4-12(17)9-11/h2-4,7-9H,5-6H2,1H3,(H,19,21).
What are the key properties of 3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide?
3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide has a molecular weight of 347.83 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide is sourced from PubChem (CID 91814343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).