phenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate

C29H25NO4 — CID 11080886

IUPACphenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate
SMILESCOc1ccc(N2OC(C(=O)Oc3ccccc3)CC2c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C29H25NO4/c1-32-25-18-16-24(17-19-25)30-27(20-28(34-30)29(31)33-26-10-6-3-7-11-26)23-14-12-22(13-15-23)21-8-4-2-5-9-21/h2-19,27-28H,20H2,1H3
InChIKeyQZKYEYJENHUEQO-UHFFFAOYSA-N
MW451.52 g/mol
LogP6.22
Rot. Bonds6

About phenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate

phenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate (PubChem CID 11080886) has the molecular formula C29H25NO4 and a molecular weight of 451.52 g/mol. Its IUPAC name is phenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namephenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate
PubChem CID11080886
Molecular FormulaC29H25NO4
Molecular Weight451.52 g/mol
Exact Mass451.18
IUPAC Namephenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate
SMILESCOc1ccc(N2OC(C(=O)Oc3ccccc3)CC2c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C29H25NO4/c1-32-25-18-16-24(17-19-25)30-27(20-28(34-30)29(31)33-26-10-6-3-7-11-26)23-14-12-22(13-15-23)21-8-4-2-5-9-21/h2-19,27-28H,20H2,1H3
InChIKeyQZKYEYJENHUEQO-UHFFFAOYSA-N
XLogP6.22
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate?
The IUPAC name of phenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate (CID 11080886) is phenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for phenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for phenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate is COc1ccc(N2OC(C(=O)Oc3ccccc3)CC2c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of phenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate?
The InChIKey is QZKYEYJENHUEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO4/c1-32-25-18-16-24(17-19-25)30-27(20-28(34-30)29(31)33-26-10-6-3-7-11-26)23-14-12-22(13-15-23)21-8-4-2-5-9-21/h2-19,27-28H,20H2,1H3.
What are the key properties of phenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate?
phenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate has a molecular weight of 451.52 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 11080886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).