(4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C18H17NO4 — CID 11232166

IUPAC(4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(=O)N2C(=O)O[C@@H](c3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C18H17NO4/c1-12-16(13-6-4-3-5-7-13)23-18(21)19(12)17(20)14-8-10-15(22-2)11-9-14/h3-12,16H,1-2H3/t12-,16-/m1/s1
InChIKeyVLTWPNISVUXYRS-MLGOLLRUSA-N
MW311.34 g/mol
LogP3.42
Rot. Bonds3

About (4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 11232166) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID11232166
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(=O)N2C(=O)O[C@@H](c3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C18H17NO4/c1-12-16(13-6-4-3-5-7-13)23-18(21)19(12)17(20)14-8-10-15(22-2)11-9-14/h3-12,16H,1-2H3/t12-,16-/m1/s1
InChIKeyVLTWPNISVUXYRS-MLGOLLRUSA-N
XLogP3.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 11232166) is (4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one is COc1ccc(C(=O)N2C(=O)O[C@@H](c3ccccc3)[C@H]2C)cc1.
What is the InChIKey of (4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is VLTWPNISVUXYRS-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H17NO4/c1-12-16(13-6-4-3-5-7-13)23-18(21)19(12)17(20)14-8-10-15(22-2)11-9-14/h3-12,16H,1-2H3/t12-,16-/m1/s1.
What are the key properties of (4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 311.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-(4-methoxybenzoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11232166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).