N-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide

C19H28N4O2 — CID 120836505

IUPACN-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1nc(C23CC4CC(CC(C4)C2)C3)no1)C1CCCN1
InChIInChI=1S/C19H28N4O2/c24-17(15-2-1-4-20-15)21-5-3-16-22-18(23-25-16)19-9-12-6-13(10-19)8-14(7-12)11-19/h12-15,20H,1-11H2,(H,21,24)
InChIKeyDCOTWXUHYBDBTH-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.95
Rot. Bonds5

About N-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide

N-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 120836505) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID120836505
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1nc(C23CC4CC(CC(C4)C2)C3)no1)C1CCCN1
InChIInChI=1S/C19H28N4O2/c24-17(15-2-1-4-20-15)21-5-3-16-22-18(23-25-16)19-9-12-6-13(10-19)8-14(7-12)11-19/h12-15,20H,1-11H2,(H,21,24)
InChIKeyDCOTWXUHYBDBTH-UHFFFAOYSA-N
XLogP1.95
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
3-(1-adamantyl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 120836476
3-(1-Adamantyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120836489
3-(1-Adamantyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole
CID 120836490
2-(1-adamantyl)-N-{1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide
CID 46984957
2-(1-adamantyl)-N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]acetamide
CID 53544884
2-(1-Adamantylamino)-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone
CID 11303276
2-(1-Adamantylamino)-1-[2-(3-methyl-1,2,4-oxadiazole-5-carbonyl)pyrrolidin-1-yl]ethanone
CID 11462914
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
[(5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid
CID 138688729
[5-[3-(1-Adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamic acid
CID 138688731

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide (CID 120836505) is N-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1nc(C23CC4CC(CC(C4)C2)C3)no1)C1CCCN1.
What is the InChIKey of N-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is DCOTWXUHYBDBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-17(15-2-1-4-20-15)21-5-3-16-22-18(23-25-16)19-9-12-6-13(10-19)8-14(7-12)11-19/h12-15,20H,1-11H2,(H,21,24).
What are the key properties of N-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide?
N-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120836505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).