N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide

C21H28N4O2S — CID 53159537

IUPACN-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NC(Cc1ccccc1)c1nnc(N2CCSCC2)o1)C1CCCCC1
InChIInChI=1S/C21H28N4O2S/c26-19(17-9-5-2-6-10-17)22-18(15-16-7-3-1-4-8-16)20-23-24-21(27-20)25-11-13-28-14-12-25/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,22,26)
InChIKeyRIJJVSWFZVFXII-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.60
Rot. Bonds6

About N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide

N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide (PubChem CID 53159537) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide
PubChem CID53159537
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC NameN-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NC(Cc1ccccc1)c1nnc(N2CCSCC2)o1)C1CCCCC1
InChIInChI=1S/C21H28N4O2S/c26-19(17-9-5-2-6-10-17)22-18(15-16-7-3-1-4-8-16)20-23-24-21(27-20)25-11-13-28-14-12-25/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,22,26)
InChIKeyRIJJVSWFZVFXII-UHFFFAOYSA-N
XLogP3.60
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide (CID 53159537) is N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide is O=C(NC(Cc1ccccc1)c1nnc(N2CCSCC2)o1)C1CCCCC1.
What is the InChIKey of N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is RIJJVSWFZVFXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c26-19(17-9-5-2-6-10-17)22-18(15-16-7-3-1-4-8-16)20-23-24-21(27-20)25-11-13-28-14-12-25/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,22,26).
What are the key properties of N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide?
N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 400.55 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 53159537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).