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

C22H30N4O2S — CID 95099678

IUPAC2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESO=C(CC1CCCCC1)N[C@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1
InChIInChI=1S/C22H30N4O2S/c27-20(16-18-9-5-2-6-10-18)23-19(15-17-7-3-1-4-8-17)21-24-25-22(28-21)26-11-13-29-14-12-26/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,23,27)/t19-/m1/s1
InChIKeyCSBWDXOAOKBYFH-LJQANCHMSA-N
MW414.58 g/mol
LogP3.99
Rot. Bonds7

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

2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (PubChem CID 95099678) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
PubChem CID95099678
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESO=C(CC1CCCCC1)N[C@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1
InChIInChI=1S/C22H30N4O2S/c27-20(16-18-9-5-2-6-10-18)23-19(15-17-7-3-1-4-8-17)21-24-25-22(28-21)26-11-13-29-14-12-26/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,23,27)/t19-/m1/s1
InChIKeyCSBWDXOAOKBYFH-LJQANCHMSA-N
XLogP3.99
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (CID 95099678) is 2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is O=C(CC1CCCCC1)N[C@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1.
What is the InChIKey of 2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The InChIKey is CSBWDXOAOKBYFH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N4O2S/c27-20(16-18-9-5-2-6-10-18)23-19(15-17-7-3-1-4-8-17)21-24-25-22(28-21)26-11-13-29-14-12-26/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,23,27)/t19-/m1/s1.
What are the key properties of 2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide has a molecular weight of 414.58 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 95099678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).