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

C16H20N2O3 — CID 79148545

IUPACN-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ncoc1-c1cccc2c1OCCO2
InChIInChI=1S/C16H20N2O3/c1-16(2,3)18-9-12-14(21-10-17-12)11-5-4-6-13-15(11)20-8-7-19-13/h4-6,10,18H,7-9H2,1-3H3
InChIKeyZIRSUBANUYOZPV-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.00
Rot. Bonds3

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

N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79148545) 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-2-amine.

Molecular Properties

Compound NameN-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79148545
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-2-amine
SMILESCC(C)(C)NCc1ncoc1-c1cccc2c1OCCO2
InChIInChI=1S/C16H20N2O3/c1-16(2,3)18-9-12-14(21-10-17-12)11-5-4-6-13-15(11)20-8-7-19-13/h4-6,10,18H,7-9H2,1-3H3
InChIKeyZIRSUBANUYOZPV-UHFFFAOYSA-N
XLogP3.00
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.00
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-2-amine?
The IUPAC name of N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (CID 79148545) is N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-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-2-amine?
The canonical SMILES for N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ncoc1-c1cccc2c1OCCO2.
What is the InChIKey of N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZIRSUBANUYOZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2,3)18-9-12-14(21-10-17-12)11-5-4-6-13-15(11)20-8-7-19-13/h4-6,10,18H,7-9H2,1-3H3.
What are the key properties of N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.35 g/mol, XLogP of 3.00, 3 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-2-amine is sourced from PubChem (CID 79148545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).