3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

C20H23NO4 — CID 25174001

IUPAC3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCCOc1ccccc1COc1ccc(CN2CC(C)OC2=O)cc1
InChIInChI=1S/C20H23NO4/c1-3-23-19-7-5-4-6-17(19)14-24-18-10-8-16(9-11-18)13-21-12-15(2)25-20(21)22/h4-11,15H,3,12-14H2,1-2H3
InChIKeyCMWFMZYGZWMQTF-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.01
Rot. Bonds7

About 3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 25174001) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID25174001
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCCOc1ccccc1COc1ccc(CN2CC(C)OC2=O)cc1
InChIInChI=1S/C20H23NO4/c1-3-23-19-7-5-4-6-17(19)14-24-18-10-8-16(9-11-18)13-21-12-15(2)25-20(21)22/h4-11,15H,3,12-14H2,1-2H3
InChIKeyCMWFMZYGZWMQTF-UHFFFAOYSA-N
XLogP4.01
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 25174081
(5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 68813968
(5R)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591745
3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25173287
3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane
CID 144657002
1-[(2-ethoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708283
4-chloro-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
CID 168687525
1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930206
3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 2793994
ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 90810932
(5R)-5-cyclohepta-1,4-dien-1-yl-3-[[4-(phenoxymethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 143501464
1-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine
CID 111881223

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 25174001) is 3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is CCOc1ccccc1COc1ccc(CN2CC(C)OC2=O)cc1.
What is the InChIKey of 3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is CMWFMZYGZWMQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-23-19-7-5-4-6-17(19)14-24-18-10-8-16(9-11-18)13-21-12-15(2)25-20(21)22/h4-11,15H,3,12-14H2,1-2H3.
What are the key properties of 3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 25174001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).