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

C16H14ClN3O2S — CID 124516263

IUPACN-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide
SMILESCc1nc([C@@H](NC(=O)Cc2ccsc2)c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H14ClN3O2S/c1-10-18-16(20-22-10)15(12-2-4-13(17)5-3-12)19-14(21)8-11-6-7-23-9-11/h2-7,9,15H,8H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyNSXTWWUDKOJPBE-HNNXBMFYSA-N
MW347.83 g/mol
LogP3.54
Rot. Bonds5

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

N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide (PubChem CID 124516263) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide
PubChem CID124516263
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide
SMILESCc1nc([C@@H](NC(=O)Cc2ccsc2)c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H14ClN3O2S/c1-10-18-16(20-22-10)15(12-2-4-13(17)5-3-12)19-14(21)8-11-6-7-23-9-11/h2-7,9,15H,8H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyNSXTWWUDKOJPBE-HNNXBMFYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide (CID 124516263) is N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide is Cc1nc([C@@H](NC(=O)Cc2ccsc2)c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide?
The InChIKey is NSXTWWUDKOJPBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-10-18-16(20-22-10)15(12-2-4-13(17)5-3-12)19-14(21)8-11-6-7-23-9-11/h2-7,9,15H,8H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide?
N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide has a molecular weight of 347.83 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 124516263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).