5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C20H23NO2 — CID 90471050

IUPAC5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1ccc(C2(c3ccc(C)cc3)OC(=O)NC2C(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-13(2)18-20(23-19(22)21-18,16-9-5-14(3)6-10-16)17-11-7-15(4)8-12-17/h5-13,18H,1-4H3,(H,21,22)
InChIKeyCPFFOFLRPBYLSN-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.31
Rot. Bonds3

About 5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one

5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 90471050) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID90471050
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1ccc(C2(c3ccc(C)cc3)OC(=O)NC2C(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-13(2)18-20(23-19(22)21-18,16-9-5-14(3)6-10-16)17-11-7-15(4)8-12-17/h5-13,18H,1-4H3,(H,21,22)
InChIKeyCPFFOFLRPBYLSN-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 90471050) is 5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1ccc(C2(c3ccc(C)cc3)OC(=O)NC2C(C)C)cc1.
What is the InChIKey of 5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is CPFFOFLRPBYLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-13(2)18-20(23-19(22)21-18,16-9-5-14(3)6-10-16)17-11-7-15(4)8-12-17/h5-13,18H,1-4H3,(H,21,22).
What are the key properties of 5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 309.41 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90471050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).