N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C22H29N3O3S — CID 7371197

IUPACN-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)o1
InChIInChI=1S/C22H29N3O3S/c1-15-6-2-5-9-19(15)23-20(26)14-29-22-25-24-21(28-22)13-27-18-11-10-16-7-3-4-8-17(16)12-18/h10-12,15,19H,2-9,13-14H2,1H3,(H,23,26)/t15-,19-/m1/s1
InChIKeyDKJYFCYZVSBLFF-DNVCBOLYSA-N
MW415.56 g/mol
LogP4.31
Rot. Bonds7

About N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7371197) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID7371197
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)o1
InChIInChI=1S/C22H29N3O3S/c1-15-6-2-5-9-19(15)23-20(26)14-29-22-25-24-21(28-22)13-27-18-11-10-16-7-3-4-8-17(16)12-18/h10-12,15,19H,2-9,13-14H2,1H3,(H,23,26)/t15-,19-/m1/s1
InChIKeyDKJYFCYZVSBLFF-DNVCBOLYSA-N
XLogP4.31
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(2-methylcyclohexyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3310208
N-[(1S,2R)-2-methylcyclohexyl]-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7318621
N-(4-methoxyphenyl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126011669
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
N-(2-methylcyclohexyl)-2-[[4-prop-2-enyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4539290
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 99944226
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7994631
N-cyclooctyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 84602597
2-[[5-[(4-bromophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide
CID 1151507
N-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78766231
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92644827

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 7371197) is N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)o1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is DKJYFCYZVSBLFF-DNVCBOLYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-15-6-2-5-9-19(15)23-20(26)14-29-22-25-24-21(28-22)13-27-18-11-10-16-7-3-4-8-17(16)12-18/h10-12,15,19H,2-9,13-14H2,1H3,(H,23,26)/t15-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 415.56 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7371197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).