3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione

C20H19NO3 — CID 139780863

IUPAC3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione
SMILESC/C=C/CC1C(=O)OC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-2-3-14-17-19(22)24-20(23)21(17)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2-13,17-18H,14H2,1H3/b3-2+
InChIKeyDVZHDZWJKWCIPL-NSCUHMNNSA-N
MW321.38 g/mol
LogP4.09
Rot. Bonds5

About 3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione

3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione (PubChem CID 139780863) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione
PubChem CID139780863
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione
SMILESC/C=C/CC1C(=O)OC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-2-3-14-17-19(22)24-20(23)21(17)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2-13,17-18H,14H2,1H3/b3-2+
InChIKeyDVZHDZWJKWCIPL-NSCUHMNNSA-N
XLogP4.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S,6R)-3-[(E)-but-2-enyl]-6-methyl-4-[(1S)-1-phenylethyl]morpholine-2,5-dione
CID 11185308
(4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione
CID 10858247
2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal
CID 166811070
(4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione
CID 170762067
3,4-bis(2-phenylpropyl)oxolane-2,5-dione
CID 21344826
ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 18474979
1-benzhydryl-3-but-2-enoxyazetidine
CID 67154585
(Z)-3-phenylhept-5-en-2-one
CID 5363833
ethyl 2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate
CID 58897697
(3S,4R)-1-benzhydryl-3-methyl-4-phenylazetidin-2-one
CID 13045168
[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382
(4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one
CID 158048514

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione?
The IUPAC name of 3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione (CID 139780863) is 3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione is C/C=C/CC1C(=O)OC(=O)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione?
The InChIKey is DVZHDZWJKWCIPL-NSCUHMNNSA-N. The full InChI is InChI=1S/C20H19NO3/c1-2-3-14-17-19(22)24-20(23)21(17)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2-13,17-18H,14H2,1H3/b3-2+.
What are the key properties of 3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione?
3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 321.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 139780863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).