3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one

C24H23NO5 — CID 4916828

IUPAC3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2OC(=O)N(Cc3ccccc3)C2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23NO5/c1-28-20-12-8-18(9-13-20)22-24(27,19-10-14-21(29-2)15-11-19)25(23(26)30-22)16-17-6-4-3-5-7-17/h3-15,22,27H,16H2,1-2H3
InChIKeyIAGCNAVPKUIMIN-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.24
Rot. Bonds6

About 3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one

3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 4916828) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID4916828
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2OC(=O)N(Cc3ccccc3)C2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23NO5/c1-28-20-12-8-18(9-13-20)22-24(27,19-10-14-21(29-2)15-11-19)25(23(26)30-22)16-17-6-4-3-5-7-17/h3-15,22,27H,16H2,1-2H3
InChIKeyIAGCNAVPKUIMIN-UHFFFAOYSA-N
XLogP4.24
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 4916828) is 3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(C2OC(=O)N(Cc3ccccc3)C2(O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is IAGCNAVPKUIMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-28-20-12-8-18(9-13-20)22-24(27,19-10-14-21(29-2)15-11-19)25(23(26)30-22)16-17-6-4-3-5-7-17/h3-15,22,27H,16H2,1-2H3.
What are the key properties of 3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one?
3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 405.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 4916828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).