(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one

C24H19NO3 — CID 69083418

IUPAC(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(C#Cc3ccccc3)c2)c1
InChIInChI=1S/C24H19NO3/c1-27-21-12-6-11-20(16-21)23-22(25-24(26)28-23)19-10-5-9-18(15-19)14-13-17-7-3-2-4-8-17/h2-12,15-16,22-23H,1H3,(H,25,26)/t22-,23-/m1/s1
InChIKeyUEOOCEWTSIQATM-DHIUTWEWSA-N
MW369.42 g/mol
LogP4.62
Rot. Bonds3

About (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one

(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 69083418) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID69083418
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(C#Cc3ccccc3)c2)c1
InChIInChI=1S/C24H19NO3/c1-27-21-12-6-11-20(16-21)23-22(25-24(26)28-23)19-10-5-9-18(15-19)14-13-17-7-3-2-4-8-17/h2-12,15-16,22-23H,1H3,(H,25,26)/t22-,23-/m1/s1
InChIKeyUEOOCEWTSIQATM-DHIUTWEWSA-N
XLogP4.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
CID 69081973
(4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
CID 69083336
(4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 10878645
Cyclohexyl-carbamic acid 3''''-aminomethyl-biphenyl-3-yl ester
CID 11404564
4-(4-Methoxyphenyl)oxazolidin-2-one
CID 12470952
US9688669, Example 116
CID 118008653
(4S)-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 130067439
(4RS,5SR)-5-[3-(benzyloxy)phenyl]-4-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]-1,3-oxazolidin-2-one
CID 22261541
(4RS,5SR)-5-(4-fluorophenyl)-4-((5-methyl-3-(1,1,2,2-tetrafluoroethoxy)phenyl)methyl)-1,3-oxazolidin-2-one
CID 22261612
(4RS,5SR)-5-(4-fluorophenyl)-4-[3-(isopropyloxy)benzyl]-1,3-oxazolidin-2-one
CID 22261652
(4RS,5SR)-4-[3-(tert-butyloxy)benzyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 22261968
(4RS,5SR)-5-(4-Fluorophenyl)-4-[3-(trifluoromethoxy)benzyl]-1,3-oxazolidin-2-one
CID 22262077

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one (CID 69083418) is (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one is COc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(C#Cc3ccccc3)c2)c1.
What is the InChIKey of (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is UEOOCEWTSIQATM-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H19NO3/c1-27-21-12-6-11-20(16-21)23-22(25-24(26)28-23)19-10-5-9-18(15-19)14-13-17-7-3-2-4-8-17/h2-12,15-16,22-23H,1H3,(H,25,26)/t22-,23-/m1/s1.
What are the key properties of (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 369.42 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69083418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).