N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine

C19H28N2O2 — CID 46220187

IUPACN-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1coc(-c2ccccc2OCC)n1
InChIInChI=1S/C19H28N2O2/c1-4-6-7-10-15(3)20-13-16-14-23-19(21-16)17-11-8-9-12-18(17)22-5-2/h8-9,11-12,14-15,20H,4-7,10,13H2,1-3H3
InChIKeyVPXVSIWMYXHGAV-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.80
Rot. Bonds10

About N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine

N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine (PubChem CID 46220187) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
PubChem CID46220187
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1coc(-c2ccccc2OCC)n1
InChIInChI=1S/C19H28N2O2/c1-4-6-7-10-15(3)20-13-16-14-23-19(21-16)17-11-8-9-12-18(17)22-5-2/h8-9,11-12,14-15,20H,4-7,10,13H2,1-3H3
InChIKeyVPXVSIWMYXHGAV-UHFFFAOYSA-N
XLogP4.80
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.80
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-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The IUPAC name of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine (CID 46220187) is N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine.
What is the SMILES notation for N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The canonical SMILES for N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine is CCCCCC(C)NCc1coc(-c2ccccc2OCC)n1.
What is the InChIKey of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The InChIKey is VPXVSIWMYXHGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-6-7-10-15(3)20-13-16-14-23-19(21-16)17-11-8-9-12-18(17)22-5-2/h8-9,11-12,14-15,20H,4-7,10,13H2,1-3H3.
What are the key properties of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine has a molecular weight of 316.45 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine is sourced from PubChem (CID 46220187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).