N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C17H28N4O2 — CID 91766329

IUPACN-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCC(C)c1noc(C(C)NC(=O)C2(N3CCCC3)CCCC2)n1
InChIInChI=1S/C17H28N4O2/c1-12(2)14-19-15(23-20-14)13(3)18-16(22)17(8-4-5-9-17)21-10-6-7-11-21/h12-13H,4-11H2,1-3H3,(H,18,22)
InChIKeyDIKGYCONXWLKBA-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.78
Rot. Bonds5

About N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 91766329) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID91766329
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCC(C)c1noc(C(C)NC(=O)C2(N3CCCC3)CCCC2)n1
InChIInChI=1S/C17H28N4O2/c1-12(2)14-19-15(23-20-14)13(3)18-16(22)17(8-4-5-9-17)21-10-6-7-11-21/h12-13H,4-11H2,1-3H3,(H,18,22)
InChIKeyDIKGYCONXWLKBA-UHFFFAOYSA-N
XLogP2.78
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 131900670
N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122556200
2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95551075
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 91794714
N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99942965
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide;hydrochloride
CID 120854836
1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide
CID 91787819
1-hydroxy-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentane-1-carboxamide
CID 129326237
1-(4-aminocyclohexyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 70783332
1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 98370670
N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122568191
N-[(1R)-1-pyridin-2-ylpropyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 125444826

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 91766329) is N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is CC(C)c1noc(C(C)NC(=O)C2(N3CCCC3)CCCC2)n1.
What is the InChIKey of N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is DIKGYCONXWLKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(2)14-19-15(23-20-14)13(3)18-16(22)17(8-4-5-9-17)21-10-6-7-11-21/h12-13H,4-11H2,1-3H3,(H,18,22).
What are the key properties of N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 91766329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).