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

C17H16ClNO3 — CID 3061368

IUPAC3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOCC1CN(c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)O1
InChIInChI=1S/C17H16ClNO3/c1-21-11-16-10-19(17(20)22-16)15-8-4-13(5-9-15)12-2-6-14(18)7-3-12/h2-9,16H,10-11H2,1H3
InChIKeyQEUBVTSRWSJFGL-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.98
Rot. Bonds4

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

3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 3061368) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID3061368
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOCC1CN(c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)O1
InChIInChI=1S/C17H16ClNO3/c1-21-11-16-10-19(17(20)22-16)15-8-4-13(5-9-15)12-2-6-14(18)7-3-12/h2-9,16H,10-11H2,1H3
InChIKeyQEUBVTSRWSJFGL-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 3061368) is 3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is COCC1CN(c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)O1.
What is the InChIKey of 3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is QEUBVTSRWSJFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-21-11-16-10-19(17(20)22-16)15-8-4-13(5-9-15)12-2-6-14(18)7-3-12/h2-9,16H,10-11H2,1H3.
What are the key properties of 3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 317.77 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3061368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).