tert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate

C20H35N3O5S — CID 11327859

IUPACtert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate
SMILESCC(C)(C)OC(=O)C[C@@H](CCCC1CCCCC1)c1nc(CNS(C)(=O)=O)no1
InChIInChI=1S/C20H35N3O5S/c1-20(2,3)27-18(24)13-16(12-8-11-15-9-6-5-7-10-15)19-22-17(23-28-19)14-21-29(4,25)26/h15-16,21H,5-14H2,1-4H3/t16-/m1/s1
InChIKeyGMFYSWYQONHOCU-MRXNPFEDSA-N
MW429.58 g/mol
LogP3.68
Rot. Bonds10

About tert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate

tert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate (PubChem CID 11327859) has the molecular formula C20H35N3O5S and a molecular weight of 429.58 g/mol. Its IUPAC name is tert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate.

Molecular Properties

Compound Nametert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate
PubChem CID11327859
Molecular FormulaC20H35N3O5S
Molecular Weight429.58 g/mol
Exact Mass429.23
IUPAC Nametert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate
SMILESCC(C)(C)OC(=O)C[C@@H](CCCC1CCCCC1)c1nc(CNS(C)(=O)=O)no1
InChIInChI=1S/C20H35N3O5S/c1-20(2,3)27-18(24)13-16(12-8-11-15-9-6-5-7-10-15)19-22-17(23-28-19)14-21-29(4,25)26/h15-16,21H,5-14H2,1-4H3/t16-/m1/s1
InChIKeyGMFYSWYQONHOCU-MRXNPFEDSA-N
XLogP3.68
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.58
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate?
The IUPAC name of tert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate (CID 11327859) is tert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate.
What is the SMILES notation for tert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate?
The canonical SMILES for tert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate is CC(C)(C)OC(=O)C[C@@H](CCCC1CCCCC1)c1nc(CNS(C)(=O)=O)no1.
What is the InChIKey of tert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate?
The InChIKey is GMFYSWYQONHOCU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H35N3O5S/c1-20(2,3)27-18(24)13-16(12-8-11-15-9-6-5-7-10-15)19-22-17(23-28-19)14-21-29(4,25)26/h15-16,21H,5-14H2,1-4H3/t16-/m1/s1.
What are the key properties of tert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate?
tert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate has a molecular weight of 429.58 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoate is sourced from PubChem (CID 11327859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).