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

C16H25N3OS — CID 3011977

IUPAC2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C16H25N3OS/c1-19(2)3-4-21-15-18-17-14(20-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,3-10H2,1-2H3
InChIKeyDHAGEUNHDUUFKN-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.19
Rot. Bonds5

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

2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine (PubChem CID 3011977) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine
PubChem CID3011977
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C16H25N3OS/c1-19(2)3-4-21-15-18-17-14(20-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,3-10H2,1-2H3
InChIKeyDHAGEUNHDUUFKN-UHFFFAOYSA-N
XLogP3.19
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine (CID 3011977) is 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine is CN(C)CCSc1nnc(C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine?
The InChIKey is DHAGEUNHDUUFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-19(2)3-4-21-15-18-17-14(20-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine?
2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylethanamine has a molecular weight of 307.46 g/mol, XLogP of 3.19, 5 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-dimethylethanamine is sourced from PubChem (CID 3011977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).