(3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine

C15H21NO — CID 134867395

IUPAC(3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine
SMILESC=C[C@@H]1C[C@H](C(C)C)N(Cc2ccccc2)O1
InChIInChI=1S/C15H21NO/c1-4-14-10-15(12(2)3)16(17-14)11-13-8-6-5-7-9-13/h4-9,12,14-15H,1,10-11H2,2-3H3/t14-,15-/m1/s1
InChIKeyMIYAHYDUPDIWQT-HUUCEWRRSA-N
MW231.34 g/mol
LogP3.40
Rot. Bonds4

About (3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine

(3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine (PubChem CID 134867395) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine
PubChem CID134867395
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine
SMILESC=C[C@@H]1C[C@H](C(C)C)N(Cc2ccccc2)O1
InChIInChI=1S/C15H21NO/c1-4-14-10-15(12(2)3)16(17-14)11-13-8-6-5-7-9-13/h4-9,12,14-15H,1,10-11H2,2-3H3/t14-,15-/m1/s1
InChIKeyMIYAHYDUPDIWQT-HUUCEWRRSA-N
XLogP3.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.40
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

(3R,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 15151212
4-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 13582988
(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine
CID 15151214
(3S,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 101639521
5-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 134922281
(2S,4R)-1-benzyl-2-(fluoromethyl)-4-methoxypyrrolidine
CID 135010272
(3r,5s)-5-Iodomethyl-2-methyl-3-phenyl-isoxazolidine
CID 11141200
(3R,5S)-2-tert-Butyl-5-iodomethyl-3-phenyl-isoxazolidine
CID 21582106
(3R,5R)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 5323941
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine (CID 134867395) is (3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine is C=C[C@@H]1C[C@H](C(C)C)N(Cc2ccccc2)O1.
What is the InChIKey of (3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine?
The InChIKey is MIYAHYDUPDIWQT-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-14-10-15(12(2)3)16(17-14)11-13-8-6-5-7-9-13/h4-9,12,14-15H,1,10-11H2,2-3H3/t14-,15-/m1/s1.
What are the key properties of (3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine?
(3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine has a molecular weight of 231.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine is sourced from PubChem (CID 134867395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).