5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

C16H23N5O2 — CID 172900745

IUPAC5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1cccc(CN2CCN(Cc3nc(C)no3)CC2C)n1
InChIInChI=1S/C16H23N5O2/c1-12-9-20(11-16-17-13(2)19-23-16)7-8-21(12)10-14-5-4-6-15(18-14)22-3/h4-6,12H,7-11H2,1-3H3
InChIKeyXIUZTRGUGGYXHR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.49
Rot. Bonds5

About 5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 172900745) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID172900745
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1cccc(CN2CCN(Cc3nc(C)no3)CC2C)n1
InChIInChI=1S/C16H23N5O2/c1-12-9-20(11-16-17-13(2)19-23-16)7-8-21(12)10-14-5-4-6-15(18-14)22-3/h4-6,12H,7-11H2,1-3H3
InChIKeyXIUZTRGUGGYXHR-UHFFFAOYSA-N
XLogP1.49
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 172903088
5-[[2-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55627333
2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline
CID 172892521
(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975727
1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103897931
1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64870564
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine
CID 114682535
3-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 172901321
3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole
CID 172902564
4-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 175650476
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine
CID 63984943

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (CID 172900745) is 5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is COc1cccc(CN2CCN(Cc3nc(C)no3)CC2C)n1.
What is the InChIKey of 5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is XIUZTRGUGGYXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-9-20(11-16-17-13(2)19-23-16)7-8-21(12)10-14-5-4-6-15(18-14)22-3/h4-6,12H,7-11H2,1-3H3.
What are the key properties of 5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 317.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 172900745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).