3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C20H21F2NO4 — CID 174303112

IUPAC3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(C(C)(F)F)c1COc1ccc(N2CC(CO)OC2=O)cc1
InChIInChI=1S/C20H21F2NO4/c1-13-4-3-5-18(20(2,21)22)17(13)12-26-15-8-6-14(7-9-15)23-10-16(11-24)27-19(23)25/h3-9,16,24H,10-12H2,1-2H3
InChIKeyCXGCQTYARBQWQU-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.00
Rot. Bonds6

About 3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 174303112) has the molecular formula C20H21F2NO4 and a molecular weight of 377.39 g/mol. Its IUPAC name is 3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID174303112
Molecular FormulaC20H21F2NO4
Molecular Weight377.39 g/mol
Exact Mass377.14
IUPAC Name3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(C(C)(F)F)c1COc1ccc(N2CC(CO)OC2=O)cc1
InChIInChI=1S/C20H21F2NO4/c1-13-4-3-5-18(20(2,21)22)17(13)12-26-15-8-6-14(7-9-15)23-10-16(11-24)27-19(23)25/h3-9,16,24H,10-12H2,1-2H3
InChIKeyCXGCQTYARBQWQU-UHFFFAOYSA-N
XLogP4.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 170608697
(5R)-5-(hydroxymethyl)-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11109337
1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one
CID 176828852
3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 170608873
5-(hydroxymethyl)-3-[4-(methoxyamino)phenyl]-1,3-oxazolidin-2-one
CID 143663891
4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705
1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one
CID 176828936
(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
3-[4-[(2,6-dichlorophenyl)methoxy]-2-methoxyphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 170608820
5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
CID 19012505
5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one
CID 13038088
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 174303112) is 3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is Cc1cccc(C(C)(F)F)c1COc1ccc(N2CC(CO)OC2=O)cc1.
What is the InChIKey of 3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is CXGCQTYARBQWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO4/c1-13-4-3-5-18(20(2,21)22)17(13)12-26-15-8-6-14(7-9-15)23-10-16(11-24)27-19(23)25/h3-9,16,24H,10-12H2,1-2H3.
What are the key properties of 3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 377.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 174303112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).