3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C18H17Cl2NO5 — CID 170608820

IUPAC3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCOc1cc(OCc2c(Cl)cccc2Cl)ccc1N1CC(CO)OC1=O
InChIInChI=1S/C18H17Cl2NO5/c1-24-17-7-11(25-10-13-14(19)3-2-4-15(13)20)5-6-16(17)21-8-12(9-22)26-18(21)23/h2-7,12,22H,8-10H2,1H3
InChIKeyUCNKZTNGIMZXEN-UHFFFAOYSA-N
MW398.24 g/mol
LogP3.90
Rot. Bonds6

About 3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 170608820) has the molecular formula C18H17Cl2NO5 and a molecular weight of 398.24 g/mol. Its IUPAC name is 3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID170608820
Molecular FormulaC18H17Cl2NO5
Molecular Weight398.24 g/mol
Exact Mass397.05
IUPAC Name3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCOc1cc(OCc2c(Cl)cccc2Cl)ccc1N1CC(CO)OC1=O
InChIInChI=1S/C18H17Cl2NO5/c1-24-17-7-11(25-10-13-14(19)3-2-4-15(13)20)5-6-16(17)21-8-12(9-22)26-18(21)23/h2-7,12,22H,8-10H2,1H3
InChIKeyUCNKZTNGIMZXEN-UHFFFAOYSA-N
XLogP3.90
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 170608820) is 3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is COc1cc(OCc2c(Cl)cccc2Cl)ccc1N1CC(CO)OC1=O.
What is the InChIKey of 3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is UCNKZTNGIMZXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO5/c1-24-17-7-11(25-10-13-14(19)3-2-4-15(13)20)5-6-16(17)21-8-12(9-22)26-18(21)23/h2-7,12,22H,8-10H2,1H3.
What are the key properties of 3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 398.24 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 170608820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).