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

C13H17NO — CID 134984155

IUPAC(3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
SMILESC=CC[C@H]1C[C@H](c2ccccc2)N(C)O1
InChIInChI=1S/C13H17NO/c1-3-7-12-10-13(14(2)15-12)11-8-5-4-6-9-11/h3-6,8-9,12-13H,1,7,10H2,2H3/t12-,13+/m0/s1
InChIKeyAXGHXDSFXICDCP-QWHCGFSZSA-N
MW203.28 g/mol
LogP2.94
Rot. Bonds3

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

(3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine (PubChem CID 134984155) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
PubChem CID134984155
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
SMILESC=CC[C@H]1C[C@H](c2ccccc2)N(C)O1
InChIInChI=1S/C13H17NO/c1-3-7-12-10-13(14(2)15-12)11-8-5-4-6-9-11/h3-6,8-9,12-13H,1,7,10H2,2H3/t12-,13+/m0/s1
InChIKeyAXGHXDSFXICDCP-QWHCGFSZSA-N
XLogP2.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.94
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-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol
CID 101004490
N-[[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]benzamide
CID 10494166
(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate
CID 3660797
1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane
CID 101109605
[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693091
[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693090
(3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine
CID 100981760
(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate
CID 4678505
(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine
CID 125473975
(3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine
CID 11034663
(3R,6S,8R,8aS)-8-ethyl-3-phenyl-6-prop-2-enyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11694881
3-phenyl-5-prop-2-enyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
CID 3771762

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine (CID 134984155) is (3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine is C=CC[C@H]1C[C@H](c2ccccc2)N(C)O1.
What is the InChIKey of (3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine?
The InChIKey is AXGHXDSFXICDCP-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-7-12-10-13(14(2)15-12)11-8-5-4-6-9-11/h3-6,8-9,12-13H,1,7,10H2,2H3/t12-,13+/m0/s1.
What are the key properties of (3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine?
(3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine has a molecular weight of 203.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine is sourced from PubChem (CID 134984155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).