3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one

C20H23NO4 — CID 2793994

IUPAC3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCOCCc1ccc(OCC2CN(Cc3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C20H23NO4/c1-23-12-11-16-7-9-18(10-8-16)24-15-19-14-21(20(22)25-19)13-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3
InChIKeyNCDHZWUQNUBJQB-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.28
Rot. Bonds8

About 3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one

3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 2793994) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID2793994
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCOCCc1ccc(OCC2CN(Cc3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C20H23NO4/c1-23-12-11-16-7-9-18(10-8-16)24-15-19-14-21(20(22)25-19)13-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3
InChIKeyNCDHZWUQNUBJQB-UHFFFAOYSA-N
XLogP3.28
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.28
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
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 23169504
3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 161152450
(5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 68813968
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695
3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 102222629
2-methoxyethylbenzene
CID 19089
methyl (Z)-3-[4-[(4-benzyl-2,3-dihydro-1,4-benzoxazin-2-yl)methoxy]phenyl]-2-ethoxyprop-2-enoate
CID 22593931
5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 139671317
3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25174001

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (CID 2793994) is 3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is COCCc1ccc(OCC2CN(Cc3ccccc3)C(=O)O2)cc1.
What is the InChIKey of 3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is NCDHZWUQNUBJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-12-11-16-7-9-18(10-8-16)24-15-19-14-21(20(22)25-19)13-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3.
What are the key properties of 3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 2793994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).