(4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C14H17NO — CID 57210178

IUPAC(4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESC=C[C@@H]1OC(c2ccccc2)=N[C@H]1C(C)C
InChIInChI=1S/C14H17NO/c1-4-12-13(10(2)3)15-14(16-12)11-8-6-5-7-9-11/h4-10,12-13H,1H2,2-3H3/t12-,13-/m0/s1
InChIKeyBNYZIQJSTBTANX-STQMWFEESA-N
MW215.30 g/mol
LogP3.04
Rot. Bonds3

About (4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 57210178) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID57210178
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESC=C[C@@H]1OC(c2ccccc2)=N[C@H]1C(C)C
InChIInChI=1S/C14H17NO/c1-4-12-13(10(2)3)15-14(16-12)11-8-6-5-7-9-11/h4-10,12-13H,1H2,2-3H3/t12-,13-/m0/s1
InChIKeyBNYZIQJSTBTANX-STQMWFEESA-N
XLogP3.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.04
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 (4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 57210178) is (4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is C=C[C@@H]1OC(c2ccccc2)=N[C@H]1C(C)C.
What is the InChIKey of (4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is BNYZIQJSTBTANX-STQMWFEESA-N. The full InChI is InChI=1S/C14H17NO/c1-4-12-13(10(2)3)15-14(16-12)11-8-6-5-7-9-11/h4-10,12-13H,1H2,2-3H3/t12-,13-/m0/s1.
What are the key properties of (4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 215.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-ethenyl-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57210178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).