2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

C19H32N4O2S — CID 2998361

IUPAC2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
SMILESCCC(c1nnc(SCC(=O)N2CC3(C)CC2CC(C)(C)C3)o1)N(C)C
InChIInChI=1S/C19H32N4O2S/c1-7-14(22(5)6)16-20-21-17(25-16)26-10-15(24)23-12-19(4)9-13(23)8-18(2,3)11-19/h13-14H,7-12H2,1-6H3
InChIKeyQPNNAJXHRJFNLG-UHFFFAOYSA-N
MW380.56 g/mol
LogP3.60
Rot. Bonds6

About 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone (PubChem CID 2998361) has the molecular formula C19H32N4O2S and a molecular weight of 380.56 g/mol. Its IUPAC name is 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone.

Molecular Properties

Compound Name2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
PubChem CID2998361
Molecular FormulaC19H32N4O2S
Molecular Weight380.56 g/mol
Exact Mass380.22
IUPAC Name2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
SMILESCCC(c1nnc(SCC(=O)N2CC3(C)CC2CC(C)(C)C3)o1)N(C)C
InChIInChI=1S/C19H32N4O2S/c1-7-14(22(5)6)16-20-21-17(25-16)26-10-15(24)23-12-19(4)9-13(23)8-18(2,3)11-19/h13-14H,7-12H2,1-6H3
InChIKeyQPNNAJXHRJFNLG-UHFFFAOYSA-N
XLogP3.60
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The IUPAC name of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone (CID 2998361) is 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone.
What is the SMILES notation for 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The canonical SMILES for 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone is CCC(c1nnc(SCC(=O)N2CC3(C)CC2CC(C)(C)C3)o1)N(C)C.
What is the InChIKey of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The InChIKey is QPNNAJXHRJFNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2S/c1-7-14(22(5)6)16-20-21-17(25-16)26-10-15(24)23-12-19(4)9-13(23)8-18(2,3)11-19/h13-14H,7-12H2,1-6H3.
What are the key properties of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone has a molecular weight of 380.56 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone is sourced from PubChem (CID 2998361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).