1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

C14H21N5O3 — CID 131937175

IUPAC1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCOCCc1noc(CN(C)Cc2noc(C3CCC3)n2)n1
InChIInChI=1S/C14H21N5O3/c1-19(9-13-15-11(17-21-13)6-7-20-2)8-12-16-14(22-18-12)10-4-3-5-10/h10H,3-9H2,1-2H3
InChIKeyXCNHUBVSAMBFIU-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.54
Rot. Bonds8

About 1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (PubChem CID 131937175) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
PubChem CID131937175
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCOCCc1noc(CN(C)Cc2noc(C3CCC3)n2)n1
InChIInChI=1S/C14H21N5O3/c1-19(9-13-15-11(17-21-13)6-7-20-2)8-12-16-14(22-18-12)10-4-3-5-10/h10H,3-9H2,1-2H3
InChIKeyXCNHUBVSAMBFIU-UHFFFAOYSA-N
XLogP1.54
TPSA90.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine with MolForge

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Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 91837128
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 91828772
3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
CID 71870137
methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62010684
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 124754936
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine
CID 91836107
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
CID 135112631
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 75438087
(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 125438766
methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate
CID 167922337

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (CID 131937175) is 1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is COCCc1noc(CN(C)Cc2noc(C3CCC3)n2)n1.
What is the InChIKey of 1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The InChIKey is XCNHUBVSAMBFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-19(9-13-15-11(17-21-13)6-7-20-2)8-12-16-14(22-18-12)10-4-3-5-10/h10H,3-9H2,1-2H3.
What are the key properties of 1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine has a molecular weight of 307.35 g/mol, XLogP of 1.54, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 131937175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).