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

C21H25NO3 — CID 134926070

IUPAC(4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[C@H](c1ccc(OC)cc1)N1C(=O)OC(C)(C)[C@H]1c1ccccc1
InChIInChI=1S/C21H25NO3/c1-5-18(15-11-13-17(24-4)14-12-15)22-19(16-9-7-6-8-10-16)21(2,3)25-20(22)23/h6-14,18-19H,5H2,1-4H3/t18-,19-/m1/s1
InChIKeyFDZWJKYDBZOUQT-RTBURBONSA-N
MW339.44 g/mol
LogP5.12
Rot. Bonds5

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

(4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134926070) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134926070
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[C@H](c1ccc(OC)cc1)N1C(=O)OC(C)(C)[C@H]1c1ccccc1
InChIInChI=1S/C21H25NO3/c1-5-18(15-11-13-17(24-4)14-12-15)22-19(16-9-7-6-8-10-16)21(2,3)25-20(22)23/h6-14,18-19H,5H2,1-4H3/t18-,19-/m1/s1
InChIKeyFDZWJKYDBZOUQT-RTBURBONSA-N
XLogP5.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 134926070) is (4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CC[C@H](c1ccc(OC)cc1)N1C(=O)OC(C)(C)[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is FDZWJKYDBZOUQT-RTBURBONSA-N. The full InChI is InChI=1S/C21H25NO3/c1-5-18(15-11-13-17(24-4)14-12-15)22-19(16-9-7-6-8-10-16)21(2,3)25-20(22)23/h6-14,18-19H,5H2,1-4H3/t18-,19-/m1/s1.
What are the key properties of (4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134926070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).