2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole

C15H9Cl2NO — CID 3019824

IUPAC2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole
SMILESClc1ccc(-c2ncc(-c3ccccc3)o2)cc1Cl
InChIInChI=1S/C15H9Cl2NO/c16-12-7-6-11(8-13(12)17)15-18-9-14(19-15)10-4-2-1-3-5-10/h1-9H
InChIKeyKNHKDAVYOIBWDF-UHFFFAOYSA-N
MW290.15 g/mol
LogP5.32
Rot. Bonds2

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

2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole (PubChem CID 3019824) has the molecular formula C15H9Cl2NO and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole
PubChem CID3019824
Molecular FormulaC15H9Cl2NO
Molecular Weight290.15 g/mol
Exact Mass289.01
IUPAC Name2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole
SMILESClc1ccc(-c2ncc(-c3ccccc3)o2)cc1Cl
InChIInChI=1S/C15H9Cl2NO/c16-12-7-6-11(8-13(12)17)15-18-9-14(19-15)10-4-2-1-3-5-10/h1-9H
InChIKeyKNHKDAVYOIBWDF-UHFFFAOYSA-N
XLogP5.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.15
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole (CID 3019824) is 2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole is Clc1ccc(-c2ncc(-c3ccccc3)o2)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole?
The InChIKey is KNHKDAVYOIBWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO/c16-12-7-6-11(8-13(12)17)15-18-9-14(19-15)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole?
2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole has a molecular weight of 290.15 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 3019824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).