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

C17H24N2O2 — CID 62484369

IUPACN-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COCCCc2ccccc2)on1
InChIInChI=1S/C17H24N2O2/c1-2-10-18-13-16-12-17(21-19-16)14-20-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,12,18H,2,6,9-11,13-14H2,1H3
InChIKeyNWXOISOCRWAOMG-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.32
Rot. Bonds10

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

N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 62484369) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID62484369
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COCCCc2ccccc2)on1
InChIInChI=1S/C17H24N2O2/c1-2-10-18-13-16-12-17(21-19-16)14-20-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,12,18H,2,6,9-11,13-14H2,1H3
InChIKeyNWXOISOCRWAOMG-UHFFFAOYSA-N
XLogP3.32
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 62484369) is N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine is CCCNCc1cc(COCCCc2ccccc2)on1.
What is the InChIKey of N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is NWXOISOCRWAOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-10-18-13-16-12-17(21-19-16)14-20-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,12,18H,2,6,9-11,13-14H2,1H3.
What are the key properties of N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62484369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).