(4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one

C21H22N2O4 — CID 155019869

IUPAC(4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H]2CNC[C@H]2C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-26-16-9-7-14(8-10-16)17-11-22-12-18(17)20(24)23-19(13-27-21(23)25)15-5-3-2-4-6-15/h2-10,17-19,22H,11-13H2,1H3/t17-,18+,19-/m0/s1
InChIKeyRXABXOMEDZSKMS-OTWHNJEPSA-N
MW366.42 g/mol
LogP2.72
Rot. Bonds4

About (4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 155019869) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID155019869
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H]2CNC[C@H]2C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-26-16-9-7-14(8-10-16)17-11-22-12-18(17)20(24)23-19(13-27-21(23)25)15-5-3-2-4-6-15/h2-10,17-19,22H,11-13H2,1H3/t17-,18+,19-/m0/s1
InChIKeyRXABXOMEDZSKMS-OTWHNJEPSA-N
XLogP2.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one (CID 155019869) is (4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one is COc1ccc([C@@H]2CNC[C@H]2C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is RXABXOMEDZSKMS-OTWHNJEPSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-16-9-7-14(8-10-16)17-11-22-12-18(17)20(24)23-19(13-27-21(23)25)15-5-3-2-4-6-15/h2-10,17-19,22H,11-13H2,1H3/t17-,18+,19-/m0/s1.
What are the key properties of (4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155019869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).