5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine

C16H19NO3 — CID 121274882

IUPAC5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine
SMILESCC(C)(C)ON1CCOC=C1c1cc2ccccc2o1
InChIInChI=1S/C16H19NO3/c1-16(2,3)20-17-8-9-18-11-13(17)15-10-12-6-4-5-7-14(12)19-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyCVNRBMBUHUTSAD-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.79
Rot. Bonds2

About 5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine

5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine (PubChem CID 121274882) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine
PubChem CID121274882
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine
SMILESCC(C)(C)ON1CCOC=C1c1cc2ccccc2o1
InChIInChI=1S/C16H19NO3/c1-16(2,3)20-17-8-9-18-11-13(17)15-10-12-6-4-5-7-14(12)19-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyCVNRBMBUHUTSAD-UHFFFAOYSA-N
XLogP3.79
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine?
The IUPAC name of 5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine (CID 121274882) is 5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine is CC(C)(C)ON1CCOC=C1c1cc2ccccc2o1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine?
The InChIKey is CVNRBMBUHUTSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(2,3)20-17-8-9-18-11-13(17)15-10-12-6-4-5-7-14(12)19-15/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine?
5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine has a molecular weight of 273.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-4-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 121274882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).