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

C19H21NO3 — CID 46887370

IUPAC3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C19H21NO3/c1-14(2)15-8-10-17(11-9-15)22-13-18-12-20(19(21)23-18)16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3
InChIKeyRANFDSQQLNBMJN-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.21
Rot. Bonds5

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

3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 46887370) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID46887370
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C19H21NO3/c1-14(2)15-8-10-17(11-9-15)22-13-18-12-20(19(21)23-18)16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3
InChIKeyRANFDSQQLNBMJN-UHFFFAOYSA-N
XLogP4.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one (CID 46887370) is 3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one is CC(C)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1.
What is the InChIKey of 3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is RANFDSQQLNBMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(2)15-8-10-17(11-9-15)22-13-18-12-20(19(21)23-18)16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of 3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one?
3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46887370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).