(3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine

C14H19NO — CID 10856930

IUPAC(3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
SMILESC=CCC1ON(C)[C@@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C14H19NO/c1-4-8-13-11(2)14(15(3)16-13)12-9-6-5-7-10-12/h4-7,9-11,13-14H,1,8H2,2-3H3/t11-,13?,14-/m1/s1
InChIKeyDATVIHTYSKOVFI-AODWJNRKSA-N
MW217.31 g/mol
LogP3.19
Rot. Bonds3

About (3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine

(3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine (PubChem CID 10856930) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
PubChem CID10856930
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
SMILESC=CCC1ON(C)[C@@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C14H19NO/c1-4-8-13-11(2)14(15(3)16-13)12-9-6-5-7-10-12/h4-7,9-11,13-14H,1,8H2,2-3H3/t11-,13?,14-/m1/s1
InChIKeyDATVIHTYSKOVFI-AODWJNRKSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine?
The IUPAC name of (3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine (CID 10856930) is (3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine.
What is the SMILES notation for (3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine?
The canonical SMILES for (3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine is C=CCC1ON(C)[C@@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of (3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine?
The InChIKey is DATVIHTYSKOVFI-AODWJNRKSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-8-13-11(2)14(15(3)16-13)12-9-6-5-7-10-12/h4-7,9-11,13-14H,1,8H2,2-3H3/t11-,13?,14-/m1/s1.
What are the key properties of (3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine?
(3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine has a molecular weight of 217.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2,4-dimethyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine is sourced from PubChem (CID 10856930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).