4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one

C19H21NO3 — CID 69052573

IUPAC4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCCOc1cc(C2C(C)OC(=O)N2C)ccc1-c1ccccc1
InChIInChI=1S/C19H21NO3/c1-4-22-17-12-15(18-13(2)23-19(21)20(18)3)10-11-16(17)14-8-6-5-7-9-14/h5-13,18H,4H2,1-3H3
InChIKeyUHIYHJREDBGCRV-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.26
Rot. Bonds4

About 4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one

4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 69052573) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID69052573
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCCOc1cc(C2C(C)OC(=O)N2C)ccc1-c1ccccc1
InChIInChI=1S/C19H21NO3/c1-4-22-17-12-15(18-13(2)23-19(21)20(18)3)10-11-16(17)14-8-6-5-7-9-14/h5-13,18H,4H2,1-3H3
InChIKeyUHIYHJREDBGCRV-UHFFFAOYSA-N
XLogP4.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one (CID 69052573) is 4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one is CCOc1cc(C2C(C)OC(=O)N2C)ccc1-c1ccccc1.
What is the InChIKey of 4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is UHIYHJREDBGCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-22-17-12-15(18-13(2)23-19(21)20(18)3)10-11-16(17)14-8-6-5-7-9-14/h5-13,18H,4H2,1-3H3.
What are the key properties of 4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-phenylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69052573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).