2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone

C20H28N4O3 — CID 11303276

IUPAC2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(C(=O)C2CCCN2C(=O)CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C20H28N4O3/c1-12-22-19(23-27-12)18(26)16-3-2-4-24(16)17(25)11-21-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-16,21H,2-11H2,1H3
InChIKeyBBAVIQFBBBKSMI-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.11
Rot. Bonds5

About 2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone

2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 11303276) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID11303276
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(C(=O)C2CCCN2C(=O)CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C20H28N4O3/c1-12-22-19(23-27-12)18(26)16-3-2-4-24(16)17(25)11-21-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-16,21H,2-11H2,1H3
InChIKeyBBAVIQFBBBKSMI-UHFFFAOYSA-N
XLogP2.11
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(adamantan-1-ylamino)-1-[(S)-2-(5-methyl-[1,2,4]oxadiazole-3-carbonyl)-pyrrolidin-1-yl]-ethanone
CID 44432894
N-((5-isobutyl-1,2,4-oxadiazol-3-yl)methyl)adamantan-1-amine
CID 71609757
N-((5-isopropyl-1,2,4-oxadiazol-3-yl)methyl)adamantan-1-amine
CID 89612895
N-((5-propyl-1,2,4-oxadiazol-3-yl)methyl)adamantan-1-amine
CID 89613015
1-[(4S)-2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)-4-fluoropyrrolidin-1-yl]-2-[(1-cyclohexyl-2-methylpropan-2-yl)amino]ethanone
CID 11247589
2-(1-adamantyl)-N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]acetamide
CID 53544884
2-[(1-Cyclohexyl-2-methylpropan-2-yl)amino]-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone
CID 11164769
2-[(3-Hydroxy-1-adamantyl)amino]-1-[2-(3-methyl-1,2,4-oxadiazole-5-carbonyl)pyrrolidin-1-yl]ethanone
CID 11429162
2-(1-Adamantylamino)-1-[2-(3-methyl-1,2,4-oxadiazole-5-carbonyl)pyrrolidin-1-yl]ethanone
CID 11462914
1-[2-(5-Tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[(1-cyclohexyl-2-methylpropan-2-yl)amino]ethanone
CID 11464242
1-[2-[5-(1-Adamantyl)-1,2,4-oxadiazole-3-carbonyl]pyrrolidin-1-yl]-2-(tert-butylamino)ethanone
CID 69808456
1-[2-[5-(1-Adamantyl)-1,2,4-oxadiazole-3-carbonyl]pyrrolidin-1-yl]-2-amino-3,3-dimethylbutan-1-one
CID 69808462

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone (CID 11303276) is 2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone is Cc1nc(C(=O)C2CCCN2C(=O)CNC23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of 2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is BBAVIQFBBBKSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-12-22-19(23-27-12)18(26)16-3-2-4-24(16)17(25)11-21-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-16,21H,2-11H2,1H3.
What are the key properties of 2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone?
2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 372.47 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 11303276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).