(4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one

C33H38N2O5 — CID 69418941

IUPAC(4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2CN(Cc3ccccc3)CC2(C)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1OC(C)(C)C
InChIInChI=1S/C33H38N2O5/c1-32(2,3)40-29-18-25(16-17-28(29)38-5)26-20-34(19-23-12-8-6-9-13-23)22-33(26,4)30(36)35-27(21-39-31(35)37)24-14-10-7-11-15-24/h6-18,26-27H,19-22H2,1-5H3/t26?,27-,33?/m0/s1
InChIKeyNTKGJYKOHWIFJA-UDDJYIFJSA-N
MW542.68 g/mol
LogP6.20
Rot. Bonds7

About (4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 69418941) has the molecular formula C33H38N2O5 and a molecular weight of 542.68 g/mol. Its IUPAC name is (4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID69418941
Molecular FormulaC33H38N2O5
Molecular Weight542.68 g/mol
Exact Mass542.28
IUPAC Name(4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2CN(Cc3ccccc3)CC2(C)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1OC(C)(C)C
InChIInChI=1S/C33H38N2O5/c1-32(2,3)40-29-18-25(16-17-28(29)38-5)26-20-34(19-23-12-8-6-9-13-23)22-33(26,4)30(36)35-27(21-39-31(35)37)24-14-10-7-11-15-24/h6-18,26-27H,19-22H2,1-5H3/t26?,27-,33?/m0/s1
InChIKeyNTKGJYKOHWIFJA-UDDJYIFJSA-N
XLogP6.20
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59960747
(5S)-1-[(3S,4S)-1-benzyl-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidine-3-carbonyl]-3-methyl-5-phenylpyrrolidin-2-one
CID 118550896
3-[1-benzyl-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyloxolan-2-one
CID 22096467
(4R)-3-[(3S,4R)-1-benzyl-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 153407374
(4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde
CID 59902301
3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one
CID 174059847
1-[(3S,4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol
CID 59960710
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
3-[(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 6293644
(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
CID 15472864
methyl (3R,4R)-3-acetyl-4-[4-methoxy-3-(2-phenylethoxy)phenyl]-3-methylpyrrolidine-1-carboxylate
CID 69417844
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one (CID 69418941) is (4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one is COc1ccc(C2CN(Cc3ccccc3)CC2(C)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1OC(C)(C)C.
What is the InChIKey of (4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is NTKGJYKOHWIFJA-UDDJYIFJSA-N. The full InChI is InChI=1S/C33H38N2O5/c1-32(2,3)40-29-18-25(16-17-28(29)38-5)26-20-34(19-23-12-8-6-9-13-23)22-33(26,4)30(36)35-27(21-39-31(35)37)24-14-10-7-11-15-24/h6-18,26-27H,19-22H2,1-5H3/t26?,27-,33?/m0/s1.
What are the key properties of (4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 542.68 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69418941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).