5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

C18H28N8O2 — CID 133344817

IUPAC5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1nc(N2CCCCCC2)nc(N2CCN(Cc3nc(C)no3)CC2)n1
InChIInChI=1S/C18H28N8O2/c1-14-19-15(28-23-14)13-24-9-11-26(12-10-24)17-20-16(21-18(22-17)27-2)25-7-5-3-4-6-8-25/h3-13H2,1-2H3
InChIKeyHJPDYTLPLCNXOL-UHFFFAOYSA-N
MW388.48 g/mol
LogP1.27
Rot. Bonds5

About 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 133344817) has the molecular formula C18H28N8O2 and a molecular weight of 388.48 g/mol. Its IUPAC name is 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID133344817
Molecular FormulaC18H28N8O2
Molecular Weight388.48 g/mol
Exact Mass388.23
IUPAC Name5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1nc(N2CCCCCC2)nc(N2CCN(Cc3nc(C)no3)CC2)n1
InChIInChI=1S/C18H28N8O2/c1-14-19-15(28-23-14)13-24-9-11-26(12-10-24)17-20-16(21-18(22-17)27-2)25-7-5-3-4-6-8-25/h3-13H2,1-2H3
InChIKeyHJPDYTLPLCNXOL-UHFFFAOYSA-N
XLogP1.27
TPSA96.54 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 133344656
3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647
5-[[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 75380996
(2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol
CID 133486119
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 126853112
3-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 155941729
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
(2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
CID 111488176
2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 143257916

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (CID 133344817) is 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is COc1nc(N2CCCCCC2)nc(N2CCN(Cc3nc(C)no3)CC2)n1.
What is the InChIKey of 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is HJPDYTLPLCNXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8O2/c1-14-19-15(28-23-14)13-24-9-11-26(12-10-24)17-20-16(21-18(22-17)27-2)25-7-5-3-4-6-8-25/h3-13H2,1-2H3.
What are the key properties of 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 388.48 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 133344817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).