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

C18H18ClNO3 — CID 22261945

IUPAC5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCCOc1cccc(CC2NC(=O)OC2c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H18ClNO3/c1-2-22-15-5-3-4-12(10-15)11-16-17(23-18(21)20-16)13-6-8-14(19)9-7-13/h3-10,16-17H,2,11H2,1H3,(H,20,21)
InChIKeyLUJYRZPHCHXDDU-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.13
Rot. Bonds5

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

5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 22261945) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID22261945
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCCOc1cccc(CC2NC(=O)OC2c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H18ClNO3/c1-2-22-15-5-3-4-12(10-15)11-16-17(23-18(21)20-16)13-6-8-14(19)9-7-13/h3-10,16-17H,2,11H2,1H3,(H,20,21)
InChIKeyLUJYRZPHCHXDDU-UHFFFAOYSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one (CID 22261945) is 5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one is CCOc1cccc(CC2NC(=O)OC2c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is LUJYRZPHCHXDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-2-22-15-5-3-4-12(10-15)11-16-17(23-18(21)20-16)13-6-8-14(19)9-7-13/h3-10,16-17H,2,11H2,1H3,(H,20,21).
What are the key properties of 5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one?
5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 331.80 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).