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

C11H11NO — CID 164674345

IUPAC(4S)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESC=C[C@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C11H11NO/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9/h2-7,10H,1,8H2/t10-/m0/s1
InChIKeyUNHRZKWUTJNYNS-JTQLQIEISA-N
MW173.21 g/mol
LogP2.02
Rot. Bonds2

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

(4S)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 164674345) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (4S)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID164674345
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(4S)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESC=C[C@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C11H11NO/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9/h2-7,10H,1,8H2/t10-/m0/s1
InChIKeyUNHRZKWUTJNYNS-JTQLQIEISA-N
XLogP2.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.02
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)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole (CID 164674345) is (4S)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole is C=C[C@H]1COC(c2ccccc2)=N1.
What is the InChIKey of (4S)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is UNHRZKWUTJNYNS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11NO/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9/h2-7,10H,1,8H2/t10-/m0/s1.
What are the key properties of (4S)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 173.21 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 164674345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).