3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

C15H26N4O — CID 63256689

IUPAC3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CCCCC2C2CCCN2)n1
InChIInChI=1S/C15H26N4O/c1-11(2)15-17-14(20-18-15)10-19-9-4-3-7-13(19)12-6-5-8-16-12/h11-13,16H,3-10H2,1-2H3
InChIKeyRDFTVYJPCYLXQG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.30
Rot. Bonds4

About 3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 63256689) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID63256689
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CCCCC2C2CCCN2)n1
InChIInChI=1S/C15H26N4O/c1-11(2)15-17-14(20-18-15)10-19-9-4-3-7-13(19)12-6-5-8-16-12/h11-13,16H,3-10H2,1-2H3
InChIKeyRDFTVYJPCYLXQG-UHFFFAOYSA-N
XLogP2.30
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
CID 54592609
1-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)piperazine
CID 54592607
N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide
CID 16189997
5-(Propan-2-yl)-3-(pyrrolidin-2-yl)-1,2,4-oxadiazole
CID 62388483
3-Ethyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 45833742
3-Cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022087
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 47219829
5-[(2-Ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 51075884
5-[(2-Ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 51075965
3-Tert-butyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 53526628
2-[2-Cyclohexylethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 53566393
1-[1-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 53572132

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 63256689) is 3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is CC(C)c1noc(CN2CCCCC2C2CCCN2)n1.
What is the InChIKey of 3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is RDFTVYJPCYLXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)15-17-14(20-18-15)10-19-9-4-3-7-13(19)12-6-5-8-16-12/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 63256689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).