3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C14H24N4O2 — CID 95156815

IUPAC3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCN(C[C@@H]3CCCO3)CC2)n1
InChIInChI=1S/C14H24N4O2/c1-11(14-15-12(2)16-20-14)18-7-5-17(6-8-18)10-13-4-3-9-19-13/h11,13H,3-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyDVZRCPLBSRMHPN-YPMHNXCESA-N
MW280.37 g/mol
LogP1.24
Rot. Bonds4

About 3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95156815) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95156815
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCN(C[C@@H]3CCCO3)CC2)n1
InChIInChI=1S/C14H24N4O2/c1-11(14-15-12(2)16-20-14)18-7-5-17(6-8-18)10-13-4-3-9-19-13/h11,13H,3-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyDVZRCPLBSRMHPN-YPMHNXCESA-N
XLogP1.24
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-cyclopropyl-5-[(1S)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95156803
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95158999
N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 95158985
N-cyclopentyl-3-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 95284643
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 55091476
(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 98768792
2-methyl-5-[(1S)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95276718
2-methyl-5-[(1R)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95276720
5-[(1R)-1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95336493
3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95288523
5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95311723

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 95156815) is 3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1noc([C@@H](C)N2CCN(C[C@@H]3CCCO3)CC2)n1.
What is the InChIKey of 3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is DVZRCPLBSRMHPN-YPMHNXCESA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(14-15-12(2)16-20-14)18-7-5-17(6-8-18)10-13-4-3-9-19-13/h11,13H,3-10H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of 3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 280.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95156815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).