5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one

C18H17NO4 — CID 70250256

IUPAC5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccc3ccoc3c2)CN1C1=CC=CCC1
InChIInChI=1S/C18H17NO4/c20-18-19(14-4-2-1-3-5-14)11-16(23-18)12-22-15-7-6-13-8-9-21-17(13)10-15/h1-2,4,6-10,16H,3,5,11-12H2
InChIKeyDPCFDGCHGXDXCF-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.87
Rot. Bonds4

About 5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one

5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one (PubChem CID 70250256) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one
PubChem CID70250256
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccc3ccoc3c2)CN1C1=CC=CCC1
InChIInChI=1S/C18H17NO4/c20-18-19(14-4-2-1-3-5-14)11-16(23-18)12-22-15-7-6-13-8-9-21-17(13)10-15/h1-2,4,6-10,16H,3,5,11-12H2
InChIKeyDPCFDGCHGXDXCF-UHFFFAOYSA-N
XLogP3.87
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[(4-acetyl-2-methylphenoxy)methyl]-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one
CID 70253655
5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580285
N-(1-benzofuran-6-yloxy)ethanamine
CID 168924313
(5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one
CID 70253003
5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580300
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 629049
5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580198
3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 59580236
(5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one
CID 57298262
4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile
CID 139661686
7-[[(2S,3S)-3-[[(2R,4S)-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl]-3-methyloxiran-2-yl]methoxy]chromen-2-one
CID 124630714
3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide
CID 91531422

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one (CID 70250256) is 5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one is O=C1OC(COc2ccc3ccoc3c2)CN1C1=CC=CCC1.
What is the InChIKey of 5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one?
The InChIKey is DPCFDGCHGXDXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-18-19(14-4-2-1-3-5-14)11-16(23-18)12-22-15-7-6-13-8-9-21-17(13)10-15/h1-2,4,6-10,16H,3,5,11-12H2.
What are the key properties of 5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one?
5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one has a molecular weight of 311.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-6-yloxymethyl)-3-cyclohexa-1,3-dien-1-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70250256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).