3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one

C19H20ClNO3 — CID 3061370

IUPAC3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOCC1CN(c2ccc(CCc3cccc(Cl)c3)cc2)C(=O)O1
InChIInChI=1S/C19H20ClNO3/c1-23-13-18-12-21(19(22)24-18)17-9-7-14(8-10-17)5-6-15-3-2-4-16(20)11-15/h2-4,7-11,18H,5-6,12-13H2,1H3
InChIKeyQMDZLRHECGUUPL-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.10
Rot. Bonds6

About 3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one

3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 3061370) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID3061370
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOCC1CN(c2ccc(CCc3cccc(Cl)c3)cc2)C(=O)O1
InChIInChI=1S/C19H20ClNO3/c1-23-13-18-12-21(19(22)24-18)17-9-7-14(8-10-17)5-6-15-3-2-4-16(20)11-15/h2-4,7-11,18H,5-6,12-13H2,1H3
InChIKeyQMDZLRHECGUUPL-UHFFFAOYSA-N
XLogP4.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 3061370) is 3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is COCC1CN(c2ccc(CCc3cccc(Cl)c3)cc2)C(=O)O1.
What is the InChIKey of 3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is QMDZLRHECGUUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-23-13-18-12-21(19(22)24-18)17-9-7-14(8-10-17)5-6-15-3-2-4-16(20)11-15/h2-4,7-11,18H,5-6,12-13H2,1H3.
What are the key properties of 3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 345.83 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3061370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).