5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one

C19H21NO4 — CID 70253655

IUPAC5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one
SMILESCC(=O)c1ccc(OCC2CN(C3=CC=CCC3)C(=O)O2)c(C)c1
InChIInChI=1S/C19H21NO4/c1-13-10-15(14(2)21)8-9-18(13)23-12-17-11-20(19(22)24-17)16-6-4-3-5-7-16/h3-4,6,8-10,17H,5,7,11-12H2,1-2H3
InChIKeyWEBPZXBLNJUEHM-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.63
Rot. Bonds5

About 5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one

5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one (PubChem CID 70253655) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one
PubChem CID70253655
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one
SMILESCC(=O)c1ccc(OCC2CN(C3=CC=CCC3)C(=O)O2)c(C)c1
InChIInChI=1S/C19H21NO4/c1-13-10-15(14(2)21)8-9-18(13)23-12-17-11-20(19(22)24-17)16-6-4-3-5-7-16/h3-4,6,8-10,17H,5,7,11-12H2,1-2H3
InChIKeyWEBPZXBLNJUEHM-UHFFFAOYSA-N
XLogP3.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one (CID 70253655) is 5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one is CC(=O)c1ccc(OCC2CN(C3=CC=CCC3)C(=O)O2)c(C)c1.
What is the InChIKey of 5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one?
The InChIKey is WEBPZXBLNJUEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-10-15(14(2)21)8-9-18(13)23-12-17-11-20(19(22)24-17)16-6-4-3-5-7-16/h3-4,6,8-10,17H,5,7,11-12H2,1-2H3.
What are the key properties of 5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one?
5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one has a molecular weight of 327.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70253655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).