3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one

C19H21ClN2O3 — CID 14966401

IUPAC3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one
SMILESCN(C)CC1CN(c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O1
InChIInChI=1S/C19H21ClN2O3/c1-21(2)11-18-12-22(19(23)25-18)16-6-8-17(9-7-16)24-13-14-4-3-5-15(20)10-14/h3-10,18H,11-13H2,1-2H3
InChIKeyWCIFNJXQCFHSLO-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.81
Rot. Bonds6

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

3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one (PubChem CID 14966401) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one
PubChem CID14966401
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one
SMILESCN(C)CC1CN(c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O1
InChIInChI=1S/C19H21ClN2O3/c1-21(2)11-18-12-22(19(23)25-18)16-6-8-17(9-7-16)24-13-14-4-3-5-15(20)10-14/h3-10,18H,11-13H2,1-2H3
InChIKeyWCIFNJXQCFHSLO-UHFFFAOYSA-N
XLogP3.81
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one (CID 14966401) is 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one is CN(C)CC1CN(c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O1.
What is the InChIKey of 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one?
The InChIKey is WCIFNJXQCFHSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-21(2)11-18-12-22(19(23)25-18)16-6-8-17(9-7-16)24-13-14-4-3-5-15(20)10-14/h3-10,18H,11-13H2,1-2H3.
What are the key properties of 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one?
3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one has a molecular weight of 360.84 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 14966401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).