4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole

C17H14ClNO — CID 15446599

IUPAC4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole
SMILESCCc1oc(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO/c1-2-15-16(12-8-10-14(18)11-9-12)19-17(20-15)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyWVYUDMLMPLCIAS-UHFFFAOYSA-N
MW283.76 g/mol
LogP5.22
Rot. Bonds3

About 4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole

4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole (PubChem CID 15446599) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole
PubChem CID15446599
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole
SMILESCCc1oc(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO/c1-2-15-16(12-8-10-14(18)11-9-12)19-17(20-15)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyWVYUDMLMPLCIAS-UHFFFAOYSA-N
XLogP5.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.76
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole (CID 15446599) is 4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole is CCc1oc(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole?
The InChIKey is WVYUDMLMPLCIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-2-15-16(12-8-10-14(18)11-9-12)19-17(20-15)13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole?
4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole has a molecular weight of 283.76 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 15446599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).