[(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C25H31NO5 — CID 134905351

IUPAC[(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCOc1ccccc1CC[C@@H](OC(=O)N1C(C)(C)COC1(C)C)C(=O)c1ccccc1
InChIInChI=1S/C25H31NO5/c1-24(2)17-30-25(3,4)26(24)23(28)31-21(22(27)19-12-7-6-8-13-19)16-15-18-11-9-10-14-20(18)29-5/h6-14,21H,15-17H2,1-5H3/t21-/m1/s1
InChIKeyVRDPBKZXUDFTIH-OAQYLSRUSA-N
MW425.53 g/mol
LogP4.86
Rot. Bonds7

About [(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134905351) has the molecular formula C25H31NO5 and a molecular weight of 425.53 g/mol. Its IUPAC name is [(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134905351
Molecular FormulaC25H31NO5
Molecular Weight425.53 g/mol
Exact Mass425.22
IUPAC Name[(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCOc1ccccc1CC[C@@H](OC(=O)N1C(C)(C)COC1(C)C)C(=O)c1ccccc1
InChIInChI=1S/C25H31NO5/c1-24(2)17-30-25(3,4)26(24)23(28)31-21(22(27)19-12-7-6-8-13-19)16-15-18-11-9-10-14-20(18)29-5/h6-14,21H,15-17H2,1-5H3/t21-/m1/s1
InChIKeyVRDPBKZXUDFTIH-OAQYLSRUSA-N
XLogP4.86
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 134905351) is [(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is COc1ccccc1CC[C@@H](OC(=O)N1C(C)(C)COC1(C)C)C(=O)c1ccccc1.
What is the InChIKey of [(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is VRDPBKZXUDFTIH-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H31NO5/c1-24(2)17-30-25(3,4)26(24)23(28)31-21(22(27)19-12-7-6-8-13-19)16-15-18-11-9-10-14-20(18)29-5/h6-14,21H,15-17H2,1-5H3/t21-/m1/s1.
What are the key properties of [(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 425.53 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134905351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).