tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate

C18H25NO3 — CID 77450449

IUPACtert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC1C(c2ccccc2)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H25NO3/c1-7-14-15(13-11-9-8-10-12-13)21-18(5,6)19(14)16(20)22-17(2,3)4/h7-12,14-15H,1H2,2-6H3
InChIKeyUTVUQFSNUUXVEH-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.29
Rot. Bonds2

About tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 77450449) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID77450449
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC1C(c2ccccc2)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H25NO3/c1-7-14-15(13-11-9-8-10-12-13)21-18(5,6)19(14)16(20)22-17(2,3)4/h7-12,14-15H,1H2,2-6H3
InChIKeyUTVUQFSNUUXVEH-UHFFFAOYSA-N
XLogP4.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.29
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

tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 85079451
tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 76781392
4-[4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]benzoic acid
CID 23570556
tert-butyl (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;(2R,3R)-3-methylpent-4-en-2-ol
CID 158619626
tert-butyl (4R,5R)-4-[(E,5S)-5-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-1,3-oxazolidin-4-yl]-5-hydroxy-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopent-1-enyl]-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 168852820
tert-butyl (4R,5R)-4-[5-[(4R,5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-1,3-oxazolidin-4-yl]-5-hydroxy-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopent-1-enyl]-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 123906235
tert-butyl (4S,5S)-4-formyl-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 11727798
tert-butyl (4R,5R)-4-[(1R)-1-(benzylamino)prop-2-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 101074532
(4S,5S)-3-acetyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-4-carbaldehyde
CID 18651250
tert-butyl 4-[4-(4-methoxycarbonylphenyl)but-3-enyl]-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 77392057
tert-butyl 4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 10982913
tert-butyl (4R,5R)-2,2-dimethyl-4-[(Z)-4-(4-nitrophenyl)but-3-enyl]-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 66939909

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate (CID 77450449) is tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate is C=CC1C(c2ccccc2)OC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is UTVUQFSNUUXVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-7-14-15(13-11-9-8-10-12-13)21-18(5,6)19(14)16(20)22-17(2,3)4/h7-12,14-15H,1H2,2-6H3.
What are the key properties of tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 77450449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).