3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one

C19H17NO2 — CID 102591110

IUPAC3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one
SMILESC=CCc1c(-c2ccccc2)oc(=O)n1Cc1ccccc1
InChIInChI=1S/C19H17NO2/c1-2-9-17-18(16-12-7-4-8-13-16)22-19(21)20(17)14-15-10-5-3-6-11-15/h2-8,10-13H,1,9,14H2
InChIKeyRGLJGDRTRAPLDP-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.89
Rot. Bonds5

About 3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one

3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one (PubChem CID 102591110) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one
PubChem CID102591110
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one
SMILESC=CCc1c(-c2ccccc2)oc(=O)n1Cc1ccccc1
InChIInChI=1S/C19H17NO2/c1-2-9-17-18(16-12-7-4-8-13-16)22-19(21)20(17)14-15-10-5-3-6-11-15/h2-8,10-13H,1,9,14H2
InChIKeyRGLJGDRTRAPLDP-UHFFFAOYSA-N
XLogP3.89
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one?
The IUPAC name of 3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one (CID 102591110) is 3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one?
The canonical SMILES for 3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one is C=CCc1c(-c2ccccc2)oc(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one?
The InChIKey is RGLJGDRTRAPLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-2-9-17-18(16-12-7-4-8-13-16)22-19(21)20(17)14-15-10-5-3-6-11-15/h2-8,10-13H,1,9,14H2.
What are the key properties of 3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one?
3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one is sourced from PubChem (CID 102591110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).