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

C15H17NO5 — CID 67352625

IUPAC(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CCO)CN1C1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C15H17NO5/c17-7-6-12-8-16(15(18)20-12)14-10-19-9-13(21-14)11-4-2-1-3-5-11/h1-2,4,9-10,12,17H,3,5-8H2/t12-/m1/s1
InChIKeyPIDTXVBQWGMXJX-GFCCVEGCSA-N
MW291.30 g/mol
LogP2.15
Rot. Bonds4

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

(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one (PubChem CID 67352625) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
PubChem CID67352625
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CCO)CN1C1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C15H17NO5/c17-7-6-12-8-16(15(18)20-12)14-10-19-9-13(21-14)11-4-2-1-3-5-11/h1-2,4,9-10,12,17H,3,5-8H2/t12-/m1/s1
InChIKeyPIDTXVBQWGMXJX-GFCCVEGCSA-N
XLogP2.15
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one (CID 67352625) is (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one is O=C1O[C@H](CCO)CN1C1=COC=C(C2=CC=CCC2)O1.
What is the InChIKey of (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The InChIKey is PIDTXVBQWGMXJX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17NO5/c17-7-6-12-8-16(15(18)20-12)14-10-19-9-13(21-14)11-4-2-1-3-5-11/h1-2,4,9-10,12,17H,3,5-8H2/t12-/m1/s1.
What are the key properties of (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one has a molecular weight of 291.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67352625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).