N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

C14H27N3O2 — CID 63691252

IUPACN-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCOCCN(CC)Cc1cc(CNC(C)C)no1
InChIInChI=1S/C14H27N3O2/c1-5-17(7-8-18-6-2)11-14-9-13(16-19-14)10-15-12(3)4/h9,12,15H,5-8,10-11H2,1-4H3
InChIKeyWHMGMIDRWUSURS-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.03
Rot. Bonds10

About N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 63691252) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID63691252
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCOCCN(CC)Cc1cc(CNC(C)C)no1
InChIInChI=1S/C14H27N3O2/c1-5-17(7-8-18-6-2)11-14-9-13(16-19-14)10-15-12(3)4/h9,12,15H,5-8,10-11H2,1-4H3
InChIKeyWHMGMIDRWUSURS-UHFFFAOYSA-N
XLogP2.03
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
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'}

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Related Compounds

N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine
CID 62436417
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62426086
N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62444489
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82953140
N-[[5-[[2-methoxyethyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 82952558
N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62423371
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55072609
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine
CID 62423206
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]propane-1,3-diamine
CID 55227948
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 81067481
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 81067715
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63656925

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 63691252) is N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is CCOCCN(CC)Cc1cc(CNC(C)C)no1.
What is the InChIKey of N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is WHMGMIDRWUSURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-17(7-8-18-6-2)11-14-9-13(16-19-14)10-15-12(3)4/h9,12,15H,5-8,10-11H2,1-4H3.
What are the key properties of N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63691252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).