(5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one

C24H25NO3 — CID 143501464

IUPAC(5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](C2=CCC=CCC2)CN1Cc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C24H25NO3/c26-24-25(17-23(28-24)21-8-4-1-2-5-9-21)16-19-12-14-20(15-13-19)18-27-22-10-6-3-7-11-22/h1-3,6-8,10-15,23H,4-5,9,16-18H2/t23-/m0/s1
InChIKeyDLVDDECIYJKPMJ-QHCPKHFHSA-N
MW375.47 g/mol
LogP5.25
Rot. Bonds6

About (5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one

(5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 143501464) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID143501464
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](C2=CCC=CCC2)CN1Cc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C24H25NO3/c26-24-25(17-23(28-24)21-8-4-1-2-5-9-21)16-19-12-14-20(15-13-19)18-27-22-10-6-3-7-11-22/h1-3,6-8,10-15,23H,4-5,9,16-18H2/t23-/m0/s1
InChIKeyDLVDDECIYJKPMJ-QHCPKHFHSA-N
XLogP5.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 25174081
3-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 70312883
3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 24967350
3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 2793994
5-(4-fluorocyclohexyl)-3-[[4-(pyridin-4-yloxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 143501485
3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25174001
(5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 57473700
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
(5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 24964503
(5R)-5-(hydroxymethyl)-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11109337
2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one
CID 56668686

Frequently Asked Questions

What is the IUPAC name of (5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 143501464) is (5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1O[C@H](C2=CCC=CCC2)CN1Cc1ccc(COc2ccccc2)cc1.
What is the InChIKey of (5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is DLVDDECIYJKPMJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25NO3/c26-24-25(17-23(28-24)21-8-4-1-2-5-9-21)16-19-12-14-20(15-13-19)18-27-22-10-6-3-7-11-22/h1-3,6-8,10-15,23H,4-5,9,16-18H2/t23-/m0/s1.
What are the key properties of (5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
(5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 375.47 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143501464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).