(3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine

C15H19NO — CID 24862399

IUPAC(3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine
SMILESC=CCCN1O[C@H](c2ccccc2)C[C@@H]1C=C
InChIInChI=1S/C15H19NO/c1-3-5-11-16-14(4-2)12-15(17-16)13-9-7-6-8-10-13/h3-4,6-10,14-15H,1-2,5,11-12H2/t14-,15-/m0/s1
InChIKeyKMBNPFRHELUWKT-GJZGRUSLSA-N
MW229.32 g/mol
LogP3.50
Rot. Bonds5

About (3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine

(3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine (PubChem CID 24862399) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine
PubChem CID24862399
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine
SMILESC=CCCN1O[C@H](c2ccccc2)C[C@@H]1C=C
InChIInChI=1S/C15H19NO/c1-3-5-11-16-14(4-2)12-15(17-16)13-9-7-6-8-10-13/h3-4,6-10,14-15H,1-2,5,11-12H2/t14-,15-/m0/s1
InChIKeyKMBNPFRHELUWKT-GJZGRUSLSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-Oxazaborolidine, 2-butyl-3,4-dimethyl-5-phenyl-
CID 612175
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CID 9942483
1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1R,2S)-
CID 10856631
(4S,5R)-2-butyl-3,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine
CID 44455605
2-Pyrrolidineethanol, 1-methyl-alpha-(3-methylphenyl)-, (R*,S*)-
CID 3054352
1-(3-Methylphenyl)-2-(1-methylpyrrolidin-2-yl)ethan-1-ol
CID 3054353
2-Pyrrolidineethanol, 1-methyl-alpha-(3-methylphenyl)-
CID 3054355
1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, erythro-
CID 11830572
3-[Di(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 23137658
alpha-Phenyl-2-pyrrolidineethanol
CID 14314267
(6S,7aS)-1-methyl-6-phenylmethoxy-2,3,5,6,7,7a-hexahydroindole
CID 118709207
(1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol
CID 15285101

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine (CID 24862399) is (3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine is C=CCCN1O[C@H](c2ccccc2)C[C@@H]1C=C.
What is the InChIKey of (3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine?
The InChIKey is KMBNPFRHELUWKT-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-5-11-16-14(4-2)12-15(17-16)13-9-7-6-8-10-13/h3-4,6-10,14-15H,1-2,5,11-12H2/t14-,15-/m0/s1.
What are the key properties of (3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine?
(3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine has a molecular weight of 229.32 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine is sourced from PubChem (CID 24862399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).