5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine

C20H33N3O — CID 175525723

IUPAC5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine
SMILESCN(C)CCCCCc1nc(CC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C20H33N3O/c1-23(2)7-5-3-4-6-19-21-18(22-24-19)14-20-11-15-8-16(12-20)10-17(9-15)13-20/h15-17H,3-14H2,1-2H3
InChIKeyICPSDWIJWRACNV-UHFFFAOYSA-N
MW331.50 g/mol
LogP4.10
Rot. Bonds8

About 5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine

5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine (PubChem CID 175525723) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine
PubChem CID175525723
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine
SMILESCN(C)CCCCCc1nc(CC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C20H33N3O/c1-23(2)7-5-3-4-6-19-21-18(22-24-19)14-20-11-15-8-16(12-20)10-17(9-15)13-20/h15-17H,3-14H2,1-2H3
InChIKeyICPSDWIJWRACNV-UHFFFAOYSA-N
XLogP4.10
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine?
The IUPAC name of 5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine (CID 175525723) is 5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine?
The canonical SMILES for 5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine is CN(C)CCCCCc1nc(CC23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of 5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine?
The InChIKey is ICPSDWIJWRACNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-23(2)7-5-3-4-6-19-21-18(22-24-19)14-20-11-15-8-16(12-20)10-17(9-15)13-20/h15-17H,3-14H2,1-2H3.
What are the key properties of 5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine?
5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine has a molecular weight of 331.50 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 175525723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).