3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one

C17H16ClNO3 — CID 629049

IUPAC3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
InChIInChI=1S/C17H16ClNO3/c1-12-2-8-15(9-3-12)21-11-16-10-19(17(20)22-16)14-6-4-13(18)5-7-14/h2-9,16H,10-11H2,1H3
InChIKeyRFFCCYAGSMXUGU-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.05
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one

3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 629049) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID629049
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
InChIInChI=1S/C17H16ClNO3/c1-12-2-8-15(9-3-12)21-11-16-10-19(17(20)22-16)14-6-4-13(18)5-7-14/h2-9,16H,10-11H2,1H3
InChIKeyRFFCCYAGSMXUGU-UHFFFAOYSA-N
XLogP4.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 95564147
2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16920637
3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 170608873
5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 139671317
4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile
CID 139661686
5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580198
4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid
CID 18997196
[(5S)-3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl N-(4-chlorophenyl)carbamate
CID 28562053
5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580300
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 16921393
5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580305
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922479

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one (CID 629049) is 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one is Cc1ccc(OCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is RFFCCYAGSMXUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-12-2-8-15(9-3-12)21-11-16-10-19(17(20)22-16)14-6-4-13(18)5-7-14/h2-9,16H,10-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one?
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 317.77 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 629049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).