phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate

C25H21NO3 — CID 54273586

IUPACphenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1C(=O)C(Cc2ccccc2)C1C=Cc1ccccc1
InChIInChI=1S/C25H21NO3/c27-24-22(18-20-12-6-2-7-13-20)23(17-16-19-10-4-1-5-11-19)26(24)25(28)29-21-14-8-3-9-15-21/h1-17,22-23H,18H2
InChIKeyRLVURFROHVJDGX-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.97
Rot. Bonds5

About phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate

phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate (PubChem CID 54273586) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate
PubChem CID54273586
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Namephenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1C(=O)C(Cc2ccccc2)C1C=Cc1ccccc1
InChIInChI=1S/C25H21NO3/c27-24-22(18-20-12-6-2-7-13-20)23(17-16-19-10-4-1-5-11-19)26(24)25(28)29-21-14-8-3-9-15-21/h1-17,22-23H,18H2
InChIKeyRLVURFROHVJDGX-UHFFFAOYSA-N
XLogP4.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate
CID 70177342
benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate
CID 15399715
tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate
CID 53254258
phenyl (3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-quinolin-3-ylethenyl]azetidine-1-carboxylate
CID 10436198
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
tert-butyl (2S,3R,4R)-2-benzyl-3-hydroxy-5-oxo-4-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
CID 11047198
[(2R,3R)-1-benzoyl-3-benzyl-4-oxoazetidin-2-yl]methyl benzoate
CID 101110669
phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate
CID 102276088
(3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 102101655
phenyl N-[N'-[4-[(3R,4R)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]butyl]-N-phenoxycarbonylcarbamimidoyl]carbamate
CID 54107307
[4-(bromomethyl)phenyl] 3-phenylprop-2-enoate
CID 67745574
tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate
CID 146168111

Frequently Asked Questions

What is the IUPAC name of phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate?
The IUPAC name of phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate (CID 54273586) is phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate.
What is the SMILES notation for phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate?
The canonical SMILES for phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate is O=C(Oc1ccccc1)N1C(=O)C(Cc2ccccc2)C1C=Cc1ccccc1.
What is the InChIKey of phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate?
The InChIKey is RLVURFROHVJDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c27-24-22(18-20-12-6-2-7-13-20)23(17-16-19-10-4-1-5-11-19)26(24)25(28)29-21-14-8-3-9-15-21/h1-17,22-23H,18H2.
What are the key properties of phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate?
phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-benzyl-2-oxo-4-(2-phenylethenyl)azetidine-1-carboxylate is sourced from PubChem (CID 54273586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).