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

C13H17NO5 — CID 154721473

IUPAC3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CC(OC)OC2=O)cc1OC
InChIInChI=1S/C13H17NO5/c1-16-10-5-4-9(6-11(10)17-2)7-14-8-12(18-3)19-13(14)15/h4-6,12H,7-8H2,1-3H3
InChIKeyOMTUHBJWYQNCDG-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.63
Rot. Bonds5

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

3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one (PubChem CID 154721473) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one
PubChem CID154721473
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CC(OC)OC2=O)cc1OC
InChIInChI=1S/C13H17NO5/c1-16-10-5-4-9(6-11(10)17-2)7-14-8-12(18-3)19-13(14)15/h4-6,12H,7-8H2,1-3H3
InChIKeyOMTUHBJWYQNCDG-UHFFFAOYSA-N
XLogP1.63
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 13422557
1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one
CID 141173385
4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
CID 63789962
1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one
CID 59011747
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275
(5R)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591745
4-[(3,4-dimethoxyphenyl)methyl]-1,1-dioxo-1,4-thiazinane-3,5-dione
CID 5110518
2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 64615889
(3aR,6aS)-3-[(3,4-dimethoxyphenyl)methyl]-5-[(2-fluorophenyl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133115140
(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146761
2-(3,4-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3373584
2-(3,4-dimethoxyphenyl)-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 4048681

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one (CID 154721473) is 3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one is COc1ccc(CN2CC(OC)OC2=O)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one?
The InChIKey is OMTUHBJWYQNCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-16-10-5-4-9(6-11(10)17-2)7-14-8-12(18-3)19-13(14)15/h4-6,12H,7-8H2,1-3H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one?
3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one has a molecular weight of 267.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one is sourced from PubChem (CID 154721473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).