5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one

C17H21NO4 — CID 69225325

IUPAC5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one
SMILESCCCN1C(=O)OC(C2=COC=C(C3=CC=CCC3)O2)C1C
InChIInChI=1S/C17H21NO4/c1-3-9-18-12(2)16(22-17(18)19)15-11-20-10-14(21-15)13-7-5-4-6-8-13/h4-5,7,10-12,16H,3,6,8-9H2,1-2H3
InChIKeyVKPTVGIKDAVYIR-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.61
Rot. Bonds4

About 5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one

5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one (PubChem CID 69225325) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one
PubChem CID69225325
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one
SMILESCCCN1C(=O)OC(C2=COC=C(C3=CC=CCC3)O2)C1C
InChIInChI=1S/C17H21NO4/c1-3-9-18-12(2)16(22-17(18)19)15-11-20-10-14(21-15)13-7-5-4-6-8-13/h4-5,7,10-12,16H,3,6,8-9H2,1-2H3
InChIKeyVKPTVGIKDAVYIR-UHFFFAOYSA-N
XLogP3.61
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one (CID 69225325) is 5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one is CCCN1C(=O)OC(C2=COC=C(C3=CC=CCC3)O2)C1C.
What is the InChIKey of 5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one?
The InChIKey is VKPTVGIKDAVYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-3-9-18-12(2)16(22-17(18)19)15-11-20-10-14(21-15)13-7-5-4-6-8-13/h4-5,7,10-12,16H,3,6,8-9H2,1-2H3.
What are the key properties of 5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one?
5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one has a molecular weight of 303.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-4-methyl-3-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69225325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).