N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine

C14H27N3O2 — CID 79679045

IUPACN,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine
SMILESCCCNCc1cc(COCC(C)(C)N(C)C)on1
InChIInChI=1S/C14H27N3O2/c1-6-7-15-9-12-8-13(19-16-12)10-18-11-14(2,3)17(4)5/h8,15H,6-7,9-11H2,1-5H3
InChIKeyXCUDVAOOPSOENC-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.03
Rot. Bonds9

About N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine

N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine (PubChem CID 79679045) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine
PubChem CID79679045
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine
SMILESCCCNCc1cc(COCC(C)(C)N(C)C)on1
InChIInChI=1S/C14H27N3O2/c1-6-7-15-9-12-8-13(19-16-12)10-18-11-14(2,3)17(4)5/h8,15H,6-7,9-11H2,1-5H3
InChIKeyXCUDVAOOPSOENC-UHFFFAOYSA-N
XLogP2.03
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine 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

N-[[5-(prop-2-enoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62442650
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
N-[[5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 82007011
N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine
CID 102740938
N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452245
N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484369
N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine
CID 62431740
N-[[5-[(2,3,6-trimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484979
2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62449512
N-[[5-[(4-propylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62548925
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62455470
N-[[5-[[bis(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62462478

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine?
The IUPAC name of N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine (CID 79679045) is N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine?
The canonical SMILES for N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine is CCCNCc1cc(COCC(C)(C)N(C)C)on1.
What is the InChIKey of N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine?
The InChIKey is XCUDVAOOPSOENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-6-7-15-9-12-8-13(19-16-12)10-18-11-14(2,3)17(4)5/h8,15H,6-7,9-11H2,1-5H3.
What are the key properties of N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine?
N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine is sourced from PubChem (CID 79679045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).