2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide

C19H24ClN3O3S — CID 112785964

IUPAC2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide
SMILESCC(Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1C
InChIInChI=1S/C19H24ClN3O3S/c1-12-5-3-4-6-16(12)21-18(24)13(2)27-19-23-22-17(26-19)11-25-15-9-7-14(20)8-10-15/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,21,24)
InChIKeyCWIRKBWMZPZOBS-UHFFFAOYSA-N
MW409.94 g/mol
LogP4.48
Rot. Bonds7

About 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide

2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide (PubChem CID 112785964) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide
PubChem CID112785964
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide
SMILESCC(Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1C
InChIInChI=1S/C19H24ClN3O3S/c1-12-5-3-4-6-16(12)21-18(24)13(2)27-19-23-22-17(26-19)11-25-15-9-7-14(20)8-10-15/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,21,24)
InChIKeyCWIRKBWMZPZOBS-UHFFFAOYSA-N
XLogP4.48
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide with MolForge

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Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7318621
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 7816533
N-(2-methylcyclohexyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3310208
(2R)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 7444473
N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 42889115
(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 9406772
(2R)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 7683508
N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7371197
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2482406
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2482398
2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide
CID 42977031
(2S)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11909554

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide (CID 112785964) is 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide is CC(Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1C.
What is the InChIKey of 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide?
The InChIKey is CWIRKBWMZPZOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-12-5-3-4-6-16(12)21-18(24)13(2)27-19-23-22-17(26-19)11-25-15-9-7-14(20)8-10-15/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,21,24).
What are the key properties of 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide?
2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide has a molecular weight of 409.94 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 112785964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).