(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one

C22H24ClNO5 — CID 150152788

IUPAC(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@@H]2C(COC3CCCCO3)OC(=O)N2c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H24ClNO5/c1-26-18-6-4-5-15(13-18)21-19(14-28-20-7-2-3-12-27-20)29-22(25)24(21)17-10-8-16(23)9-11-17/h4-6,8-11,13,19-21H,2-3,7,12,14H2,1H3/t19?,20?,21-/m1/s1
InChIKeyFFPIVAFOIVTPSL-XVAXZDLZSA-N
MW417.89 g/mol
LogP4.96
Rot. Bonds6

About (4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one

(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 150152788) has the molecular formula C22H24ClNO5 and a molecular weight of 417.89 g/mol. Its IUPAC name is (4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID150152788
Molecular FormulaC22H24ClNO5
Molecular Weight417.89 g/mol
Exact Mass417.13
IUPAC Name(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@@H]2C(COC3CCCCO3)OC(=O)N2c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H24ClNO5/c1-26-18-6-4-5-15(13-18)21-19(14-28-20-7-2-3-12-27-20)29-22(25)24(21)17-10-8-16(23)9-11-17/h4-6,8-11,13,19-21H,2-3,7,12,14H2,1H3/t19?,20?,21-/m1/s1
InChIKeyFFPIVAFOIVTPSL-XVAXZDLZSA-N
XLogP4.96
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5R)-4-(3-fluorophenyl)-5-(oxan-2-yloxymethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 24948569
tert-butyl 4-[[(4S,5S)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-oxopiperazine-1-carboxylate
CID 59485677
(4S,5S)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 59485763
benzyl 1-[[(4S,5S)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperidine-4-carboxylate
CID 59485696
(4S,5S)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 59485662
(4S,5S)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-4,5-dihydrotriazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 70852496
(4S,5S)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 59485952
4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
CID 21187678
(4S,5S)-3-(4-chlorophenyl)-5-[[4-(diethylaminomethyl)triazol-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-oxazolidin-2-one;(4S,5S)-3-(4-chlorophenyl)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 158366811
(4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate
CID 20668665
[(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate
CID 24946198
2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 59485926

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one (CID 150152788) is (4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one is COc1cccc([C@@H]2C(COC3CCCCO3)OC(=O)N2c2ccc(Cl)cc2)c1.
What is the InChIKey of (4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is FFPIVAFOIVTPSL-XVAXZDLZSA-N. The full InChI is InChI=1S/C22H24ClNO5/c1-26-18-6-4-5-15(13-18)21-19(14-28-20-7-2-3-12-27-20)29-22(25)24(21)17-10-8-16(23)9-11-17/h4-6,8-11,13,19-21H,2-3,7,12,14H2,1H3/t19?,20?,21-/m1/s1.
What are the key properties of (4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one?
(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 417.89 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 150152788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).