4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one

C25H24N2O7 — CID 10095971

IUPAC4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one
SMILESCOc1ccc(C2OON(N3C(=O)C(OCc4ccccc4)C3c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C25H24N2O7/c1-29-20-12-8-18(9-13-20)22-23(31-16-17-6-4-3-5-7-17)24(28)26(22)27-32-25(33-34-27)19-10-14-21(30-2)15-11-19/h3-15,22-23,25H,16H2,1-2H3
InChIKeyUYMZYOGRZWZSDN-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.90
Rot. Bonds8

About 4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one

4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one (PubChem CID 10095971) has the molecular formula C25H24N2O7 and a molecular weight of 464.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one
PubChem CID10095971
Molecular FormulaC25H24N2O7
Molecular Weight464.47 g/mol
Exact Mass464.16
IUPAC Name4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one
SMILESCOc1ccc(C2OON(N3C(=O)C(OCc4ccccc4)C3c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C25H24N2O7/c1-29-20-12-8-18(9-13-20)22-23(31-16-17-6-4-3-5-7-17)24(28)26(22)27-32-25(33-34-27)19-10-14-21(30-2)15-11-19/h3-15,22-23,25H,16H2,1-2H3
InChIKeyUYMZYOGRZWZSDN-UHFFFAOYSA-N
XLogP3.90
TPSA78.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-[(2-methylpropan-2-yl)oxy]azetidin-2-one
CID 10477787
(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10379085
(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
CID 10403184
(3R,4R)-4-(iodomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 11452971
(3R,4S)-1-(4-methoxyphenyl)-4-[(4S,5S)-5-[(2S,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one
CID 10462050
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
(3S,4R)-4-ethynyl-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 15470886
methyl (2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carboxylate
CID 100915474
(3R,4S)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10363803
(3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one
CID 10361544
(3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 101388589
(3S,4S)-5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one
CID 24767024

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one (CID 10095971) is 4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one is COc1ccc(C2OON(N3C(=O)C(OCc4ccccc4)C3c3ccc(OC)cc3)O2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one?
The InChIKey is UYMZYOGRZWZSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O7/c1-29-20-12-8-18(9-13-20)22-23(31-16-17-6-4-3-5-7-17)24(28)26(22)27-32-25(33-34-27)19-10-14-21(30-2)15-11-19/h3-15,22-23,25H,16H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one?
4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one has a molecular weight of 464.47 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 10095971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).