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

C23H33NO4Si — CID 134920379

IUPAC(3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-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]2c2ccco2)cc1
InChIInChI=1S/C23H33NO4Si/c1-15(2)29(16(3)4,17(5)6)28-22-21(20-9-8-14-27-20)24(23(22)25)18-10-12-19(26-7)13-11-18/h8-17,21-22H,1-7H3/t21-,22-/m0/s1
InChIKeyRXAFQFGZUMFLQG-VXKWHMMOSA-N
MW415.61 g/mol
LogP5.94
Rot. Bonds8

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

(3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 134920379) has the molecular formula C23H33NO4Si and a molecular weight of 415.61 g/mol. Its IUPAC name is (3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID134920379
Molecular FormulaC23H33NO4Si
Molecular Weight415.61 g/mol
Exact Mass415.22
IUPAC Name(3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-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]2c2ccco2)cc1
InChIInChI=1S/C23H33NO4Si/c1-15(2)29(16(3)4,17(5)6)28-22-21(20-9-8-14-27-20)24(23(22)25)18-10-12-19(26-7)13-11-18/h8-17,21-22H,1-7H3/t21-,22-/m0/s1
InChIKeyRXAFQFGZUMFLQG-VXKWHMMOSA-N
XLogP5.94
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.61
LogP ≤ 55.94
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

4-(furan-2-yl)-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one
CID 73312428
(3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57103539
actinium;(4R)-4-(furan-2-yl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
CID 59880313
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
(2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 98105339
2-(furan-2-yl)-4-hydroxy-1-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108654214
3-(furan-2-yl)-5-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 2866427
(2S)-2-(furan-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006450
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056
(3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 15262819
5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133155934

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of (3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 134920379) is (3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for (3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for (3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-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]2c2ccco2)cc1.
What is the InChIKey of (3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is RXAFQFGZUMFLQG-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H33NO4Si/c1-15(2)29(16(3)4,17(5)6)28-22-21(20-9-8-14-27-20)24(23(22)25)18-10-12-19(26-7)13-11-18/h8-17,21-22H,1-7H3/t21-,22-/m0/s1.
What are the key properties of (3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
(3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 415.61 g/mol, XLogP of 5.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 134920379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).