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

C19H13BrN2O — CID 127038693

IUPAC3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
SMILESBrc1cccc(-c2cc(-c3ccc(-n4cccc4)cc3)on2)c1
InChIInChI=1S/C19H13BrN2O/c20-16-5-3-4-15(12-16)18-13-19(23-21-18)14-6-8-17(9-7-14)22-10-1-2-11-22/h1-13H
InChIKeyPVXUEZLGLOYACQ-UHFFFAOYSA-N
MW365.23 g/mol
LogP5.56
Rot. Bonds3

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

3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole (PubChem CID 127038693) has the molecular formula C19H13BrN2O and a molecular weight of 365.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
PubChem CID127038693
Molecular FormulaC19H13BrN2O
Molecular Weight365.23 g/mol
Exact Mass364.02
IUPAC Name3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
SMILESBrc1cccc(-c2cc(-c3ccc(-n4cccc4)cc3)on2)c1
InChIInChI=1S/C19H13BrN2O/c20-16-5-3-4-15(12-16)18-13-19(23-21-18)14-6-8-17(9-7-14)22-10-1-2-11-22/h1-13H
InChIKeyPVXUEZLGLOYACQ-UHFFFAOYSA-N
XLogP5.56
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.23
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
The IUPAC name of 3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole (CID 127038693) is 3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole.
What is the SMILES notation for 3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
The canonical SMILES for 3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole is Brc1cccc(-c2cc(-c3ccc(-n4cccc4)cc3)on2)c1.
What is the InChIKey of 3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
The InChIKey is PVXUEZLGLOYACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O/c20-16-5-3-4-15(12-16)18-13-19(23-21-18)14-6-8-17(9-7-14)22-10-1-2-11-22/h1-13H.
What are the key properties of 3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole?
3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole has a molecular weight of 365.23 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole is sourced from PubChem (CID 127038693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).