2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine

C12H22N2O3 — CID 113382250

IUPAC2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1ncc(CCC(C)OC)o1
InChIInChI=1S/C12H22N2O3/c1-10(16-3)4-5-11-8-14-12(17-11)9-13-6-7-15-2/h8,10,13H,4-7,9H2,1-3H3
InChIKeyCIRPZXAYWNDLAP-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.38
Rot. Bonds9

About 2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine

2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 113382250) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID113382250
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1ncc(CCC(C)OC)o1
InChIInChI=1S/C12H22N2O3/c1-10(16-3)4-5-11-8-14-12(17-11)9-13-6-7-15-2/h8,10,13H,4-7,9H2,1-3H3
InChIKeyCIRPZXAYWNDLAP-UHFFFAOYSA-N
XLogP1.38
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181973
2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181670
N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184333
2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879
N-[2-[5-(2-methoxyethyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182920
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine
CID 60765583
2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 65182423
N-[(5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184036
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103275226
2-methoxy-N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 66478464
N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine
CID 103213216
N-[[5-(3,5-dibromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 107975815

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 113382250) is 2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine is COCCNCc1ncc(CCC(C)OC)o1.
What is the InChIKey of 2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is CIRPZXAYWNDLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(16-3)4-5-11-8-14-12(17-11)9-13-6-7-15-2/h8,10,13H,4-7,9H2,1-3H3.
What are the key properties of 2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 242.32 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 113382250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).