1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone

C24H31N5O2 — CID 78833873

IUPAC1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
SMILESCC(c1nc(-c2cccnc2)no1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H31N5O2/c1-16(22-26-21(27-31-22)20-3-2-4-25-15-20)28-5-7-29(8-6-28)23(30)24-12-17-9-18(13-24)11-19(10-17)14-24/h2-4,15-19H,5-14H2,1H3
InChIKeyMTHNQWNNEPPPMA-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.55
Rot. Bonds4

About 1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone

1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 78833873) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
PubChem CID78833873
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
SMILESCC(c1nc(-c2cccnc2)no1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H31N5O2/c1-16(22-26-21(27-31-22)20-3-2-4-25-15-20)28-5-7-29(8-6-28)23(30)24-12-17-9-18(13-24)11-19(10-17)14-24/h2-4,15-19H,5-14H2,1H3
InChIKeyMTHNQWNNEPPPMA-UHFFFAOYSA-N
XLogP3.55
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone 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 1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone (CID 78833873) is 1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone is CC(c1nc(-c2cccnc2)no1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is MTHNQWNNEPPPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-16(22-26-21(27-31-22)20-3-2-4-25-15-20)28-5-7-29(8-6-28)23(30)24-12-17-9-18(13-24)11-19(10-17)14-24/h2-4,15-19H,5-14H2,1H3.
What are the key properties of 1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 421.55 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 78833873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).