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

C24H23NO4 — CID 11731858

IUPACmethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)C1CC(c2ccc(-c3ccccc3)cc2)N(c2ccc(OC)cc2)O1
InChIInChI=1S/C24H23NO4/c1-27-21-14-12-20(13-15-21)25-22(16-23(29-25)24(26)28-2)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15,22-23H,16H2,1-2H3
InChIKeyWMKDMFMCQZQUJD-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.79
Rot. Bonds5

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

methyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate (PubChem CID 11731858) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate
PubChem CID11731858
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Namemethyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)C1CC(c2ccc(-c3ccccc3)cc2)N(c2ccc(OC)cc2)O1
InChIInChI=1S/C24H23NO4/c1-27-21-14-12-20(13-15-21)25-22(16-23(29-25)24(26)28-2)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15,22-23H,16H2,1-2H3
InChIKeyWMKDMFMCQZQUJD-UHFFFAOYSA-N
XLogP4.79
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate (CID 11731858) is methyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate is COC(=O)C1CC(c2ccc(-c3ccccc3)cc2)N(c2ccc(OC)cc2)O1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate?
The InChIKey is WMKDMFMCQZQUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-27-21-14-12-20(13-15-21)25-22(16-23(29-25)24(26)28-2)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15,22-23H,16H2,1-2H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate?
methyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-3-(4-phenylphenyl)-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 11731858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).