3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole

C19H13ClN2O — CID 127038249

IUPAC3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(-c3ccc(-n4cccc4)cc3)on2)cc1
InChIInChI=1S/C19H13ClN2O/c20-16-7-3-14(4-8-16)18-13-19(23-21-18)15-5-9-17(10-6-15)22-11-1-2-12-22/h1-13H
InChIKeyHJGWCBVAFHIXSY-UHFFFAOYSA-N
MW320.78 g/mol
LogP5.45
Rot. Bonds3

About 3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole

3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole (PubChem CID 127038249) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
PubChem CID127038249
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(-c3ccc(-n4cccc4)cc3)on2)cc1
InChIInChI=1S/C19H13ClN2O/c20-16-7-3-14(4-8-16)18-13-19(23-21-18)15-5-9-17(10-6-15)22-11-1-2-12-22/h1-13H
InChIKeyHJGWCBVAFHIXSY-UHFFFAOYSA-N
XLogP5.45
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.78
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole (CID 127038249) is 3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole is Clc1ccc(-c2cc(-c3ccc(-n4cccc4)cc3)on2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
The InChIKey is HJGWCBVAFHIXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c20-16-7-3-14(4-8-16)18-13-19(23-21-18)15-5-9-17(10-6-15)22-11-1-2-12-22/h1-13H.
What are the key properties of 3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole has a molecular weight of 320.78 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole is sourced from PubChem (CID 127038249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).