ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol

C21H30FNO4 — CID 142959688

IUPACethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol
SMILESCC.CC.CO.O=C1OCCN1c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C16H14FNO3.2C2H6.CH4O/c17-14-10-13(18-8-9-20-16(18)19)6-7-15(14)21-11-12-4-2-1-3-5-12;3*1-2/h1-7,10H,8-9,11H2;2*1-2H3;2H,1H3
InChIKeyVOFUICSVIIQEJR-UHFFFAOYSA-N
MW379.47 g/mol
LogP5.02
Rot. Bonds4

About ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol

ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol (PubChem CID 142959688) has the molecular formula C21H30FNO4 and a molecular weight of 379.47 g/mol. Its IUPAC name is ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol.

Molecular Properties

Compound Nameethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol
PubChem CID142959688
Molecular FormulaC21H30FNO4
Molecular Weight379.47 g/mol
Exact Mass379.22
IUPAC Nameethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol
SMILESCC.CC.CO.O=C1OCCN1c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C16H14FNO3.2C2H6.CH4O/c17-14-10-13(18-8-9-20-16(18)19)6-7-15(14)21-11-12-4-2-1-3-5-12;3*1-2/h1-7,10H,8-9,11H2;2*1-2H3;2H,1H3
InChIKeyVOFUICSVIIQEJR-UHFFFAOYSA-N
XLogP5.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one
CID 142959710
3-[3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 52762129
4-amino-6-(3-fluoro-4-phenylmethoxyphenyl)-8-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 67438407
tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
CID 141011533
methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate
CID 145189134
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile
CID 141213401
5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 86940735
1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 71940501
ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate
CID 142694824

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol?
The IUPAC name of ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol (CID 142959688) is ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol.
What is the SMILES notation for ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol?
The canonical SMILES for ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol is CC.CC.CO.O=C1OCCN1c1ccc(OCc2ccccc2)c(F)c1.
What is the InChIKey of ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol?
The InChIKey is VOFUICSVIIQEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3.2C2H6.CH4O/c17-14-10-13(18-8-9-20-16(18)19)6-7-15(14)21-11-12-4-2-1-3-5-12;3*1-2/h1-7,10H,8-9,11H2;2*1-2H3;2H,1H3.
What are the key properties of ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol?
ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol has a molecular weight of 379.47 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol is sourced from PubChem (CID 142959688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).