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

C25H25NO4 — CID 11090727

IUPACethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate
SMILESCCOC(=O)C1CC(c2ccc(-c3ccccc3)cc2)N(c2ccc(OC)cc2)O1
InChIInChI=1S/C25H25NO4/c1-3-29-25(27)24-17-23(26(30-24)21-13-15-22(28-2)16-14-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-16,23-24H,3,17H2,1-2H3
InChIKeyAKDRLWSMEVSGIU-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.18
Rot. Bonds6

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

ethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate (PubChem CID 11090727) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate
PubChem CID11090727
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Nameethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate
SMILESCCOC(=O)C1CC(c2ccc(-c3ccccc3)cc2)N(c2ccc(OC)cc2)O1
InChIInChI=1S/C25H25NO4/c1-3-29-25(27)24-17-23(26(30-24)21-13-15-22(28-2)16-14-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-16,23-24H,3,17H2,1-2H3
InChIKeyAKDRLWSMEVSGIU-UHFFFAOYSA-N
XLogP5.18
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate (CID 11090727) is ethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate is CCOC(=O)C1CC(c2ccc(-c3ccccc3)cc2)N(c2ccc(OC)cc2)O1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate?
The InChIKey is AKDRLWSMEVSGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-3-29-25(27)24-17-23(26(30-24)21-13-15-22(28-2)16-14-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-16,23-24H,3,17H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate?
ethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 11090727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).