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

C24H30N4O2 — CID 46997249

IUPAC(3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC12CC3CC(C)(C1)CC(C(=O)N1CCCC1c1nc(-c4ccccn4)no1)(C3)C2
InChIInChI=1S/C24H30N4O2/c1-22-10-16-11-23(2,13-22)15-24(12-16,14-22)21(29)28-9-5-7-18(28)20-26-19(27-30-20)17-6-3-4-8-25-17/h3-4,6,8,16,18H,5,7,9-15H2,1-2H3
InChIKeyWDRKOKUYGVEPAR-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.79
Rot. Bonds3

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

(3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 46997249) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID46997249
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name(3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC12CC3CC(C)(C1)CC(C(=O)N1CCCC1c1nc(-c4ccccn4)no1)(C3)C2
InChIInChI=1S/C24H30N4O2/c1-22-10-16-11-23(2,13-22)15-24(12-16,14-22)21(29)28-9-5-7-18(28)20-26-19(27-30-20)17-6-3-4-8-25-17/h3-4,6,8,16,18H,5,7,9-15H2,1-2H3
InChIKeyWDRKOKUYGVEPAR-UHFFFAOYSA-N
XLogP4.79
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 46997249) is (3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is CC12CC3CC(C)(C1)CC(C(=O)N1CCCC1c1nc(-c4ccccn4)no1)(C3)C2.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WDRKOKUYGVEPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-22-10-16-11-23(2,13-22)15-24(12-16,14-22)21(29)28-9-5-7-18(28)20-26-19(27-30-20)17-6-3-4-8-25-17/h3-4,6,8,16,18H,5,7,9-15H2,1-2H3.
What are the key properties of (3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 406.53 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46997249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).