4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine

C17H21NO2 — CID 3627981

IUPAC4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine
SMILESCCC1(CC)OC(c2ccc(C)o2)Nc2ccccc21
InChIInChI=1S/C17H21NO2/c1-4-17(5-2)13-8-6-7-9-14(13)18-16(20-17)15-11-10-12(3)19-15/h6-11,16,18H,4-5H2,1-3H3
InChIKeyLQAYRIPJLUKYGH-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.74
Rot. Bonds3

About 4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine

4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine (PubChem CID 3627981) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine
PubChem CID3627981
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine
SMILESCCC1(CC)OC(c2ccc(C)o2)Nc2ccccc21
InChIInChI=1S/C17H21NO2/c1-4-17(5-2)13-8-6-7-9-14(13)18-16(20-17)15-11-10-12(3)19-15/h6-11,16,18H,4-5H2,1-3H3
InChIKeyLQAYRIPJLUKYGH-UHFFFAOYSA-N
XLogP4.74
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine?
The IUPAC name of 4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine (CID 3627981) is 4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine.
What is the SMILES notation for 4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine?
The canonical SMILES for 4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine is CCC1(CC)OC(c2ccc(C)o2)Nc2ccccc21.
What is the InChIKey of 4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine?
The InChIKey is LQAYRIPJLUKYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-17(5-2)13-8-6-7-9-14(13)18-16(20-17)15-11-10-12(3)19-15/h6-11,16,18H,4-5H2,1-3H3.
What are the key properties of 4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine?
4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine has a molecular weight of 271.36 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-2-(5-methylfuran-2-yl)-1,2-dihydro-3,1-benzoxazine is sourced from PubChem (CID 3627981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).