tert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate

C20H29NO3 — CID 14827595

IUPACtert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(/C=C/CCc2ccccc2)COC1(C)C
InChIInChI=1S/C20H29NO3/c1-19(2,3)24-18(22)21-17(15-23-20(21,4)5)14-10-9-13-16-11-7-6-8-12-16/h6-8,10-12,14,17H,9,13,15H2,1-5H3/b14-10+
InChIKeyFPIYYSDHQPPSKF-GXDHUFHOSA-N
MW331.46 g/mol
LogP4.55
Rot. Bonds4

About tert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate

tert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 14827595) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate
PubChem CID14827595
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Nametert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(/C=C/CCc2ccccc2)COC1(C)C
InChIInChI=1S/C20H29NO3/c1-19(2,3)24-18(22)21-17(15-23-20(21,4)5)14-10-9-13-16-11-7-6-8-12-16/h6-8,10-12,14,17H,9,13,15H2,1-5H3/b14-10+
InChIKeyFPIYYSDHQPPSKF-GXDHUFHOSA-N
XLogP4.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fenpipalone
CID 30822
tert-butyl 2-[(E)-2-(2-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 138973295
tert-butyl (2S)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate
CID 11242774
tert-butyl (2S)-2-[(Z)-2-fluoro-5-phenylpent-1-enyl]pyrrolidine-1-carboxylate
CID 177852396
(4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10704100
tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11132182
5-Methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 164675976
(2RS)-2-benzyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 3265841
(S)-4-Isopropyl-3-(3-phenylacryloyl)oxazolidin-2-one
CID 10355199
tert-butyl (4R)-2,2-dimethyl-4-(2-phenylethyl)-1,3-oxazolidine-3-carboxylate
CID 10990397
3-Benzyl-4-methyl-1,3-oxazolidin-2-one
CID 12146637
tert-butyl (E)-2-(3-phenylallyl)pyrrolidine-1-carboxylate
CID 12181718

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate (CID 14827595) is tert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(/C=C/CCc2ccccc2)COC1(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is FPIYYSDHQPPSKF-GXDHUFHOSA-N. The full InChI is InChI=1S/C20H29NO3/c1-19(2,3)24-18(22)21-17(15-23-20(21,4)5)14-10-9-13-16-11-7-6-8-12-16/h6-8,10-12,14,17H,9,13,15H2,1-5H3/b14-10+.
What are the key properties of tert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-[(E)-4-phenylbut-1-enyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 14827595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).