N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine

C16H20N2O3 — CID 79148260

IUPACN-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncoc1-c1cccc2c1OCCO2
InChIInChI=1S/C16H20N2O3/c1-11(2)8-17-9-13-15(21-10-18-13)12-4-3-5-14-16(12)20-7-6-19-14/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyBZCYVPNGSYSISY-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.86
Rot. Bonds5

About N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79148260) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID79148260
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncoc1-c1cccc2c1OCCO2
InChIInChI=1S/C16H20N2O3/c1-11(2)8-17-9-13-15(21-10-18-13)12-4-3-5-14-16(12)20-7-6-19-14/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyBZCYVPNGSYSISY-UHFFFAOYSA-N
XLogP2.86
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (CID 79148260) is N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ncoc1-c1cccc2c1OCCO2.
What is the InChIKey of N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BZCYVPNGSYSISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(2)8-17-9-13-15(21-10-18-13)12-4-3-5-14-16(12)20-7-6-19-14/h3-5,10-11,17H,6-9H2,1-2H3.
What are the key properties of N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79148260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).