4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol

C18H26N4O3 — CID 100703560

IUPAC4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol
SMILESCN(C)c1noc(CN(Cc2ccccc2)CC2(O)CCOCC2)n1
InChIInChI=1S/C18H26N4O3/c1-21(2)17-19-16(25-20-17)13-22(12-15-6-4-3-5-7-15)14-18(23)8-10-24-11-9-18/h3-7,23H,8-14H2,1-2H3
InChIKeyNWQXYIUUHHFTNY-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.68
Rot. Bonds7

About 4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol

4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol (PubChem CID 100703560) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol
PubChem CID100703560
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol
SMILESCN(C)c1noc(CN(Cc2ccccc2)CC2(O)CCOCC2)n1
InChIInChI=1S/C18H26N4O3/c1-21(2)17-19-16(25-20-17)13-22(12-15-6-4-3-5-7-15)14-18(23)8-10-24-11-9-18/h3-7,23H,8-14H2,1-2H3
InChIKeyNWQXYIUUHHFTNY-UHFFFAOYSA-N
XLogP1.68
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
CID 115746956
4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114952710
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol
CID 115746964
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 113269047
2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzonitrile
CID 114949366
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116799871
2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol
CID 62390491
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine
CID 130571738
4-[[(3-bromo-2-phenylpropyl)-methylamino]methyl]oxan-4-ol
CID 114952447

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol (CID 100703560) is 4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol is CN(C)c1noc(CN(Cc2ccccc2)CC2(O)CCOCC2)n1.
What is the InChIKey of 4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol?
The InChIKey is NWQXYIUUHHFTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-21(2)17-19-16(25-20-17)13-22(12-15-6-4-3-5-7-15)14-18(23)8-10-24-11-9-18/h3-7,23H,8-14H2,1-2H3.
What are the key properties of 4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol?
4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol has a molecular weight of 346.43 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 100703560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).