N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide

C16H26N4O3S — CID 135087753

IUPACN'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide
SMILESCSCc1noc(CNC(=O)CCC(=O)N(C)C2CCCCC2)n1
InChIInChI=1S/C16H26N4O3S/c1-20(12-6-4-3-5-7-12)16(22)9-8-14(21)17-10-15-18-13(11-24-2)19-23-15/h12H,3-11H2,1-2H3,(H,17,21)
InChIKeyJQJWNKFAISBRDI-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.12
Rot. Bonds8

About N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide

N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide (PubChem CID 135087753) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide
PubChem CID135087753
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide
SMILESCSCc1noc(CNC(=O)CCC(=O)N(C)C2CCCCC2)n1
InChIInChI=1S/C16H26N4O3S/c1-20(12-6-4-3-5-7-12)16(22)9-8-14(21)17-10-15-18-13(11-24-2)19-23-15/h12H,3-11H2,1-2H3,(H,17,21)
InChIKeyJQJWNKFAISBRDI-UHFFFAOYSA-N
XLogP2.12
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide (CID 135087753) is N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide is CSCc1noc(CNC(=O)CCC(=O)N(C)C2CCCCC2)n1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide?
The InChIKey is JQJWNKFAISBRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-20(12-6-4-3-5-7-12)16(22)9-8-14(21)17-10-15-18-13(11-24-2)19-23-15/h12H,3-11H2,1-2H3,(H,17,21).
What are the key properties of N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide?
N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide has a molecular weight of 354.48 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide is sourced from PubChem (CID 135087753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).