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

C16H23N3O2S — CID 2961555

IUPAC2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C16H23N3O2S/c1-19(2)13(20)9-22-15-18-17-14(21-15)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,3-9H2,1-2H3
InChIKeyOGXBTOMCPHPDQB-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.72
Rot. Bonds4

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

2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (PubChem CID 2961555) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
PubChem CID2961555
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C16H23N3O2S/c1-19(2)13(20)9-22-15-18-17-14(21-15)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,3-9H2,1-2H3
InChIKeyOGXBTOMCPHPDQB-UHFFFAOYSA-N
XLogP2.72
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (CID 2961555) is 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide is CN(C)C(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The InChIKey is OGXBTOMCPHPDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-19(2)13(20)9-22-15-18-17-14(21-15)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide has a molecular weight of 321.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 2961555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).