5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one

C21H23NO3 — CID 59580300

IUPAC5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccc(C3CCCC3)cc2)CN1c1ccccc1
InChIInChI=1S/C21H23NO3/c23-21-22(18-8-2-1-3-9-18)14-20(25-21)15-24-19-12-10-17(11-13-19)16-6-4-5-7-16/h1-3,8-13,16,20H,4-7,14-15H2
InChIKeyGJMYOJBJPZKHTH-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.75
Rot. Bonds5

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

5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 59580300) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID59580300
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccc(C3CCCC3)cc2)CN1c1ccccc1
InChIInChI=1S/C21H23NO3/c23-21-22(18-8-2-1-3-9-18)14-20(25-21)15-24-19-12-10-17(11-13-19)16-6-4-5-7-16/h1-3,8-13,16,20H,4-7,14-15H2
InChIKeyGJMYOJBJPZKHTH-UHFFFAOYSA-N
XLogP4.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 59580300) is 5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is O=C1OC(COc2ccc(C3CCCC3)cc2)CN1c1ccccc1.
What is the InChIKey of 5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is GJMYOJBJPZKHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-21-22(18-8-2-1-3-9-18)14-20(25-21)15-24-19-12-10-17(11-13-19)16-6-4-5-7-16/h1-3,8-13,16,20H,4-7,14-15H2.
What are the key properties of 5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 337.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).