N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine

C13H23N3O2 — CID 62459891

IUPACN-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COCCC2CCCN2C)on1
InChIInChI=1S/C13H23N3O2/c1-14-9-11-8-13(18-15-11)10-17-7-5-12-4-3-6-16(12)2/h8,12,14H,3-7,9-10H2,1-2H3
InChIKeyAEYYEPOAOMZHLN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.39
Rot. Bonds7

About N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine

N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 62459891) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine
PubChem CID62459891
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COCCC2CCCN2C)on1
InChIInChI=1S/C13H23N3O2/c1-14-9-11-8-13(18-15-11)10-17-7-5-12-4-3-6-16(12)2/h8,12,14H,3-7,9-10H2,1-2H3
InChIKeyAEYYEPOAOMZHLN-UHFFFAOYSA-N
XLogP1.39
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine (CID 62459891) is N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine is CNCc1cc(COCCC2CCCN2C)on1.
What is the InChIKey of N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is AEYYEPOAOMZHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-14-9-11-8-13(18-15-11)10-17-7-5-12-4-3-6-16(12)2/h8,12,14H,3-7,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine?
N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62459891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).