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

C15H26N4O — CID 115078370

IUPAC5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCC(C)N1CCCCC1Cc1nc(C2CCNC2)no1
InChIInChI=1S/C15H26N4O/c1-11(2)19-8-4-3-5-13(19)9-14-17-15(18-20-14)12-6-7-16-10-12/h11-13,16H,3-10H2,1-2H3
InChIKeyROXXCQIWYFXDDU-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.95
Rot. Bonds4

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

5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 115078370) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID115078370
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCC(C)N1CCCCC1Cc1nc(C2CCNC2)no1
InChIInChI=1S/C15H26N4O/c1-11(2)19-8-4-3-5-13(19)9-14-17-15(18-20-14)12-6-7-16-10-12/h11-13,16H,3-10H2,1-2H3
InChIKeyROXXCQIWYFXDDU-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115078349
5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078562
N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078397
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078118
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115078145
3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081652
5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one
CID 115078289
5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115078374
5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129493408
N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115079579
2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081403
5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078020

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 115078370) is 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole is CC(C)N1CCCCC1Cc1nc(C2CCNC2)no1.
What is the InChIKey of 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is ROXXCQIWYFXDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)19-8-4-3-5-13(19)9-14-17-15(18-20-14)12-6-7-16-10-12/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 1.95, 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-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115078370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).