benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate

C27H27NO5 — CID 19810530

IUPACbenzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)N1C(c2ccccc2)OC(=O)C1(CCCO)Cc1ccccc1
InChIInChI=1S/C27H27NO5/c29-18-10-17-27(19-21-11-4-1-5-12-21)25(30)33-24(23-15-8-3-9-16-23)28(27)26(31)32-20-22-13-6-2-7-14-22/h1-9,11-16,24,29H,10,17-20H2
InChIKeyARYCQAXHXIUHOB-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.63
Rot. Bonds8

About benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate

benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 19810530) has the molecular formula C27H27NO5 and a molecular weight of 445.52 g/mol. Its IUPAC name is benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID19810530
Molecular FormulaC27H27NO5
Molecular Weight445.52 g/mol
Exact Mass445.19
IUPAC Namebenzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)N1C(c2ccccc2)OC(=O)C1(CCCO)Cc1ccccc1
InChIInChI=1S/C27H27NO5/c29-18-10-17-27(19-21-11-4-1-5-12-21)25(30)33-24(23-15-8-3-9-16-23)28(27)26(31)32-20-22-13-6-2-7-14-22/h1-9,11-16,24,29H,10,17-20H2
InChIKeyARYCQAXHXIUHOB-UHFFFAOYSA-N
XLogP4.63
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate (CID 19810530) is benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate is O=C(OCc1ccccc1)N1C(c2ccccc2)OC(=O)C1(CCCO)Cc1ccccc1.
What is the InChIKey of benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ARYCQAXHXIUHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO5/c29-18-10-17-27(19-21-11-4-1-5-12-21)25(30)33-24(23-15-8-3-9-16-23)28(27)26(31)32-20-22-13-6-2-7-14-22/h1-9,11-16,24,29H,10,17-20H2.
What are the key properties of benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 445.52 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-benzyl-4-(3-hydroxypropyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 19810530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).