5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C15H17ClN4O3S — CID 118768339

IUPAC5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)C(C)SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O3S/c1-9(24-8-10-3-5-11(16)6-4-10)14(21)18-7-12-19-13(20-23-12)15(22)17-2/h3-6,9H,7-8H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyCIUXZDNXJICWDZ-UHFFFAOYSA-N
MW368.85 g/mol
LogP2.02
Rot. Bonds7

About 5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 118768339) has the molecular formula C15H17ClN4O3S and a molecular weight of 368.85 g/mol. Its IUPAC name is 5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID118768339
Molecular FormulaC15H17ClN4O3S
Molecular Weight368.85 g/mol
Exact Mass368.07
IUPAC Name5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)C(C)SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O3S/c1-9(24-8-10-3-5-11(16)6-4-10)14(21)18-7-12-19-13(20-23-12)15(22)17-2/h3-6,9H,7-8H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyCIUXZDNXJICWDZ-UHFFFAOYSA-N
XLogP2.02
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 91777284
(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 97267211
2-benzylsulfanyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132655000
5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 118791795
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 50759779
5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 91836949
2-(4-chlorophenyl)sulfanyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132658655
2-[(4-chlorophenyl)methylsulfanyl]-N-(ethylcarbamoyl)propanamide
CID 16523768
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 8552521
N-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 134010666
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9034505
ethyl 2-[(4-chlorophenyl)methylsulfanyl]propanoate
CID 20542836

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 118768339) is 5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CNC(=O)C(C)SCc2ccc(Cl)cc2)n1.
What is the InChIKey of 5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is CIUXZDNXJICWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S/c1-9(24-8-10-3-5-11(16)6-4-10)14(21)18-7-12-19-13(20-23-12)15(22)17-2/h3-6,9H,7-8H2,1-2H3,(H,17,22)(H,18,21).
What are the key properties of 5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 368.85 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 118768339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).