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

C14H22N6O2 — CID 95276720

IUPAC2-methyl-5-[(1R)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCN([C@H](C)c3nnc(C)o3)CC2)n1
InChIInChI=1S/C14H22N6O2/c1-9(13-15-11(3)18-22-13)19-5-7-20(8-6-19)10(2)14-17-16-12(4)21-14/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyGXJCHKNJLBFQAM-NXEZZACHSA-N
MW306.37 g/mol
LogP1.51
Rot. Bonds4

About 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

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 (PubChem CID 95276720) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-methyl-5-[(1R)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID95276720
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name2-methyl-5-[(1R)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCN([C@H](C)c3nnc(C)o3)CC2)n1
InChIInChI=1S/C14H22N6O2/c1-9(13-15-11(3)18-22-13)19-5-7-20(8-6-19)10(2)14-17-16-12(4)21-14/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyGXJCHKNJLBFQAM-NXEZZACHSA-N
XLogP1.51
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc([C@@H](C)N2CCN([C@H](C)c3nnc(C)o3)CC2)n1.
What is the InChIKey of 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?
The InChIKey is GXJCHKNJLBFQAM-NXEZZACHSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-9(13-15-11(3)18-22-13)19-5-7-20(8-6-19)10(2)14-17-16-12(4)21-14/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 306.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 95276720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).