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

C15H26N4O — CID 115078562

IUPAC5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCC(C)N1CCCC(Cc2nc(C3CCNC3)no2)C1
InChIInChI=1S/C15H26N4O/c1-11(2)19-7-3-4-12(10-19)8-14-17-15(18-20-14)13-5-6-16-9-13/h11-13,16H,3-10H2,1-2H3
InChIKeyYOMCKXRXEJPXLE-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.81
Rot. Bonds4

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

5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 115078562) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID115078562
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCC(C)N1CCCC(Cc2nc(C3CCNC3)no2)C1
InChIInChI=1S/C15H26N4O/c1-11(2)19-7-3-4-12(10-19)8-14-17-15(18-20-14)13-5-6-16-9-13/h11-13,16H,3-10H2,1-2H3
InChIKeyYOMCKXRXEJPXLE-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078370
4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79658286
5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazole-3-carbaldehyde
CID 115078505
3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 115076999
5-[(1-ethylpyrrolidin-3-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115077313
2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081479
3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425
N-methyl-1-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115081078
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705
3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62690301
5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 79609656
3-(oxan-4-yl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97052953

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 115078562) is 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole is CC(C)N1CCCC(Cc2nc(C3CCNC3)no2)C1.
What is the InChIKey of 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is YOMCKXRXEJPXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)19-7-3-4-12(10-19)8-14-17-15(18-20-14)13-5-6-16-9-13/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115078562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).