(3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one

C24H34N2O3Si — CID 57103539

IUPAC(3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2c2ccncc2)cc1
InChIInChI=1S/C24H34N2O3Si/c1-16(2)30(17(3)4,18(5)6)29-23-22(19-12-14-25-15-13-19)26(24(23)27)20-8-10-21(28-7)11-9-20/h8-18,22-23H,1-7H3/t22-,23+/m0/s1
InChIKeyTXQXQPDCSUFPRM-XZOQPEGZSA-N
MW426.63 g/mol
LogP5.74
Rot. Bonds8

About (3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one

(3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 57103539) has the molecular formula C24H34N2O3Si and a molecular weight of 426.63 g/mol. Its IUPAC name is (3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID57103539
Molecular FormulaC24H34N2O3Si
Molecular Weight426.63 g/mol
Exact Mass426.23
IUPAC Name(3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2c2ccncc2)cc1
InChIInChI=1S/C24H34N2O3Si/c1-16(2)30(17(3)4,18(5)6)29-23-22(19-12-14-25-15-13-19)26(24(23)27)20-8-10-21(28-7)11-9-20/h8-18,22-23H,1-7H3/t22-,23+/m0/s1
InChIKeyTXQXQPDCSUFPRM-XZOQPEGZSA-N
XLogP5.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.63
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 134920379
4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 68943315
(3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 139915959
(3S,4R)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273364
(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273363
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
(3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 15262819
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of (3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 57103539) is (3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one is COc1ccc(N2C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2c2ccncc2)cc1.
What is the InChIKey of (3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is TXQXQPDCSUFPRM-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H34N2O3Si/c1-16(2)30(17(3)4,18(5)6)29-23-22(19-12-14-25-15-13-19)26(24(23)27)20-8-10-21(28-7)11-9-20/h8-18,22-23H,1-7H3/t22-,23+/m0/s1.
What are the key properties of (3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
(3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 426.63 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 57103539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).