2,5-diphenyl-4-prop-2-enyl-1,3-oxazole

C18H15NO — CID 10869047

IUPAC2,5-diphenyl-4-prop-2-enyl-1,3-oxazole
SMILESC=CCc1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C18H15NO/c1-2-9-16-17(14-10-5-3-6-11-14)20-18(19-16)15-12-7-4-8-13-15/h2-8,10-13H,1,9H2
InChIKeyFCPMQXRWZPEXQO-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.74
Rot. Bonds4

About 2,5-diphenyl-4-prop-2-enyl-1,3-oxazole

2,5-diphenyl-4-prop-2-enyl-1,3-oxazole (PubChem CID 10869047) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,5-diphenyl-4-prop-2-enyl-1,3-oxazole.

Molecular Properties

Compound Name2,5-diphenyl-4-prop-2-enyl-1,3-oxazole
PubChem CID10869047
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2,5-diphenyl-4-prop-2-enyl-1,3-oxazole
SMILESC=CCc1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C18H15NO/c1-2-9-16-17(14-10-5-3-6-11-14)20-18(19-16)15-12-7-4-8-13-15/h2-8,10-13H,1,9H2
InChIKeyFCPMQXRWZPEXQO-UHFFFAOYSA-N
XLogP4.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.74
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 2,5-diphenyl-4-prop-2-enyl-1,3-oxazole?
The IUPAC name of 2,5-diphenyl-4-prop-2-enyl-1,3-oxazole (CID 10869047) is 2,5-diphenyl-4-prop-2-enyl-1,3-oxazole.
What is the SMILES notation for 2,5-diphenyl-4-prop-2-enyl-1,3-oxazole?
The canonical SMILES for 2,5-diphenyl-4-prop-2-enyl-1,3-oxazole is C=CCc1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of 2,5-diphenyl-4-prop-2-enyl-1,3-oxazole?
The InChIKey is FCPMQXRWZPEXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-2-9-16-17(14-10-5-3-6-11-14)20-18(19-16)15-12-7-4-8-13-15/h2-8,10-13H,1,9H2.
What are the key properties of 2,5-diphenyl-4-prop-2-enyl-1,3-oxazole?
2,5-diphenyl-4-prop-2-enyl-1,3-oxazole has a molecular weight of 261.32 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-4-prop-2-enyl-1,3-oxazole is sourced from PubChem (CID 10869047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).