3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine

C16H16N2O2 — CID 147572716

IUPAC3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine
SMILESc1ccc2c(c1)CON(N1COc3ccccc3C1)C2
InChIInChI=1S/C16H16N2O2/c1-2-7-15-11-20-18(10-13(15)5-1)17-9-14-6-3-4-8-16(14)19-12-17/h1-8H,9-12H2
InChIKeyFUVWIPNZPKOSKZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.70
Rot. Bonds1

About 3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine

3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 147572716) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine
PubChem CID147572716
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine
SMILESc1ccc2c(c1)CON(N1COc3ccccc3C1)C2
InChIInChI=1S/C16H16N2O2/c1-2-7-15-11-20-18(10-13(15)5-1)17-9-14-6-3-4-8-16(14)19-12-17/h1-8H,9-12H2
InChIKeyFUVWIPNZPKOSKZ-UHFFFAOYSA-N
XLogP2.70
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine (CID 147572716) is 3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine is c1ccc2c(c1)CON(N1COc3ccccc3C1)C2.
What is the InChIKey of 3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is FUVWIPNZPKOSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-7-15-11-20-18(10-13(15)5-1)17-9-14-6-3-4-8-16(14)19-12-17/h1-8H,9-12H2.
What are the key properties of 3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine?
3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 268.32 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dihydro-2,3-benzoxazin-3-yl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 147572716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).