N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C11H19N3O2 — CID 103985627

IUPACN-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCNCCCc1nc(CC2CCOC2)no1
InChIInChI=1S/C11H19N3O2/c1-12-5-2-3-11-13-10(14-16-11)7-9-4-6-15-8-9/h9,12H,2-8H2,1H3
InChIKeySZUBQEXTHNOSTI-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.80
Rot. Bonds6

About N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 103985627) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID103985627
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCNCCCc1nc(CC2CCOC2)no1
InChIInChI=1S/C11H19N3O2/c1-12-5-2-3-11-13-10(14-16-11)7-9-4-6-15-8-9/h9,12H,2-8H2,1H3
InChIKeySZUBQEXTHNOSTI-UHFFFAOYSA-N
XLogP0.80
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103985851
5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103985689
N-methyl-3-[3-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081578
1-cyclopropyl-N-methyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 113362300
3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 103985671
3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole
CID 131182892
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 103988011
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152043
N-methyl-3-[3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081650
N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078241
N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085315
3-(oxolan-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 103987943

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 103985627) is N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CNCCCc1nc(CC2CCOC2)no1.
What is the InChIKey of N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is SZUBQEXTHNOSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-12-5-2-3-11-13-10(14-16-11)7-9-4-6-15-8-9/h9,12H,2-8H2,1H3.
What are the key properties of N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 103985627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).