2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide

C22H27N3O3S — CID 2961704

IUPAC2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide
SMILESO=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)NCCOc1ccccc1
InChIInChI=1S/C22H27N3O3S/c26-19(23-6-7-27-18-4-2-1-3-5-18)14-29-21-25-24-20(28-21)22-11-15-8-16(12-22)10-17(9-15)13-22/h1-5,15-17H,6-14H2,(H,23,26)
InChIKeyKPYCVRCOLDMYIO-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.82
Rot. Bonds8

About 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide

2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide (PubChem CID 2961704) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide
PubChem CID2961704
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide
SMILESO=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)NCCOc1ccccc1
InChIInChI=1S/C22H27N3O3S/c26-19(23-6-7-27-18-4-2-1-3-5-18)14-29-21-25-24-20(28-21)22-11-15-8-16(12-22)10-17(9-15)13-22/h1-5,15-17H,6-14H2,(H,23,26)
InChIKeyKPYCVRCOLDMYIO-UHFFFAOYSA-N
XLogP3.82
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78862540
2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide
CID 24573617
2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 17423576
N-(2-phenoxyethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8535303
2-(3,4-dimethylphenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26579562
N-(1-adamantylmethyl)-2-[[5-[(2S)-2-phenylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7907507
N-(1-adamantyl)-2-(2-phenoxyethylsulfanyl)acetamide
CID 3768957
N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide
CID 108542343
N-[2-(4-tert-butylphenoxy)ethyl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8581995
2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide
CID 78801003
2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 66290707
N-[2-(4-tert-butylphenoxy)ethyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 55373048

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide (CID 2961704) is 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide is O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)NCCOc1ccccc1.
What is the InChIKey of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is KPYCVRCOLDMYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c26-19(23-6-7-27-18-4-2-1-3-5-18)14-29-21-25-24-20(28-21)22-11-15-8-16(12-22)10-17(9-15)13-22/h1-5,15-17H,6-14H2,(H,23,26).
What are the key properties of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide?
2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 413.54 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 2961704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).