N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride

C20H33ClN4O3S — CID 158527991

IUPACN-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCC(C)CC(NC(=O)C1CCCCC1)C(=O)c1nnc(SCCN2CCC2)o1.Cl
InChIInChI=1S/C20H32N4O3S.ClH/c1-14(2)13-16(21-18(26)15-7-4-3-5-8-15)17(25)19-22-23-20(27-19)28-12-11-24-9-6-10-24;/h14-16H,3-13H2,1-2H3,(H,21,26);1H
InChIKeyWWDUBFFOULLJDX-UHFFFAOYSA-N
MW445.03 g/mol
LogP3.58
Rot. Bonds10

About N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride

N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 158527991) has the molecular formula C20H33ClN4O3S and a molecular weight of 445.03 g/mol. Its IUPAC name is N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID158527991
Molecular FormulaC20H33ClN4O3S
Molecular Weight445.03 g/mol
Exact Mass444.20
IUPAC NameN-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCC(C)CC(NC(=O)C1CCCCC1)C(=O)c1nnc(SCCN2CCC2)o1.Cl
InChIInChI=1S/C20H32N4O3S.ClH/c1-14(2)13-16(21-18(26)15-7-4-3-5-8-15)17(25)19-22-23-20(27-19)28-12-11-24-9-6-10-24;/h14-16H,3-13H2,1-2H3,(H,21,26);1H
InChIKeyWWDUBFFOULLJDX-UHFFFAOYSA-N
XLogP3.58
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.03
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride with MolForge

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Related Compounds

N-[4-methyl-1-oxo-1-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]cyclohexanecarboxamide
CID 58760262
N-[(2S)-1-[5-[(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cycloheptanecarboxamide
CID 90817727
N-[(1R,2S)-1-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazole-2-carbonyl]-2-propan-2-ylcyclopropyl]cycloheptanecarboxamide
CID 142188913
N-[(1S,2R)-2-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide;hydrochloride
CID 159363052
N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 10158267
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
N-[(2S)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3,4-dimethyl-1-oxopent-3-en-2-yl]cyclohexanecarboxamide
CID 163678668
N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide
CID 58760353
N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 43816194
N-[1-[[(2S)-1-(5-cyclohexylsulfanyl-1,3,4-oxadiazol-2-yl)-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide
CID 58760198
N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]-1-(3-phenylpropanoylamino)cyclohexane-1-carboxamide;hydrochloride
CID 159430632

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride (CID 158527991) is N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride is CC(C)CC(NC(=O)C1CCCCC1)C(=O)c1nnc(SCCN2CCC2)o1.Cl.
What is the InChIKey of N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is WWDUBFFOULLJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S.ClH/c1-14(2)13-16(21-18(26)15-7-4-3-5-8-15)17(25)19-22-23-20(27-19)28-12-11-24-9-6-10-24;/h14-16H,3-13H2,1-2H3,(H,21,26);1H.
What are the key properties of N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride?
N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 445.03 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-(azetidin-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 158527991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).