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

C17H17NO3 — CID 46887320

IUPAC5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C17H17NO3/c1-13-7-9-15(10-8-13)20-12-16-11-18(17(19)21-16)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
InChIKeyXGAKSPGMZGHDTM-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.40
Rot. Bonds4

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

5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 46887320) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID46887320
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C17H17NO3/c1-13-7-9-15(10-8-13)20-12-16-11-18(17(19)21-16)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
InChIKeyXGAKSPGMZGHDTM-UHFFFAOYSA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 46887320) is 5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is Cc1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1.
What is the InChIKey of 5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is XGAKSPGMZGHDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13-7-9-15(10-8-13)20-12-16-11-18(17(19)21-16)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3.
What are the key properties of 5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 46887320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).