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

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Related Compounds

3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 170608697
3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 170608873
5-(hydroxymethyl)-3-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 130413931
3-[4-[6-(aminomethyl)-3-pyridinyl]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 144656957
(5R)-5-(azidomethyl)-3-[4-[4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-oxazolidin-2-one
CID 10027664
ethane;[3-[5-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-methoxyphenyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphite
CID 144656972
(4R)-1-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one
CID 170608817
1-(5-bromo-2-pyridinyl)-4-methylpiperazine;ethane;5-(hydroxymethyl)-3-[2-methoxy-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 144656961
3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 174303112
(5R)-5-(hydroxymethyl)-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11109337
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689

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).