(3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one

C22H26N2O3 — CID 134920468

IUPAC(3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one
SMILESCO[C@@H]1[C@@H](N2[C@H](c3ccccc3)COC2(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-22(2)24(18(15-27-22)17-12-8-5-9-13-17)19-20(25)23(21(19)26-3)14-16-10-6-4-7-11-16/h4-13,18-19,21H,14-15H2,1-3H3/t18-,19-,21+/m0/s1
InChIKeyPEXJEKMMIAXAKC-IRFCIJBXSA-N
MW366.46 g/mol
LogP3.18
Rot. Bonds5

About (3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one

(3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one (PubChem CID 134920468) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one
PubChem CID134920468
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one
SMILESCO[C@@H]1[C@@H](N2[C@H](c3ccccc3)COC2(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-22(2)24(18(15-27-22)17-12-8-5-9-13-17)19-20(25)23(21(19)26-3)14-16-10-6-4-7-11-16/h4-13,18-19,21H,14-15H2,1-3H3/t18-,19-,21+/m0/s1
InChIKeyPEXJEKMMIAXAKC-IRFCIJBXSA-N
XLogP3.18
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 10316011
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
CID 102599255
(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
CID 102276897
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
[1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium
CID 134872179
(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde
CID 71352528
methyl (4S,6S,7S)-6-methyl-1-oxo-4,6-diphenyl-4,7,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7-carboxylate
CID 134971092
3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 18608249
(3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
CID 11717092
(4S)-3-[(2R,3R)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10552752
1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium
CID 11133153

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one?
The IUPAC name of (3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one (CID 134920468) is (3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one.
What is the SMILES notation for (3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one?
The canonical SMILES for (3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one is CO[C@@H]1[C@@H](N2[C@H](c3ccccc3)COC2(C)C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one?
The InChIKey is PEXJEKMMIAXAKC-IRFCIJBXSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2)24(18(15-27-22)17-12-8-5-9-13-17)19-20(25)23(21(19)26-3)14-16-10-6-4-7-11-16/h4-13,18-19,21H,14-15H2,1-3H3/t18-,19-,21+/m0/s1.
What are the key properties of (3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one?
(3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one has a molecular weight of 366.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one is sourced from PubChem (CID 134920468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).