5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole

C18H11N3O3 — CID 134952084

IUPAC5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole
SMILESO=[N+]([O-])c1ccc(-c2cnc(-c3ccc4ccccc4n3)o2)cc1
InChIInChI=1S/C18H11N3O3/c22-21(23)14-8-5-13(6-9-14)17-11-19-18(24-17)16-10-7-12-3-1-2-4-15(12)20-16/h1-11H
InChIKeyNRLSSUJXYHQFLV-UHFFFAOYSA-N
MW317.30 g/mol
LogP4.47
Rot. Bonds3

About 5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole

5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole (PubChem CID 134952084) has the molecular formula C18H11N3O3 and a molecular weight of 317.30 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole
PubChem CID134952084
Molecular FormulaC18H11N3O3
Molecular Weight317.30 g/mol
Exact Mass317.08
IUPAC Name5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole
SMILESO=[N+]([O-])c1ccc(-c2cnc(-c3ccc4ccccc4n3)o2)cc1
InChIInChI=1S/C18H11N3O3/c22-21(23)14-8-5-13(6-9-14)17-11-19-18(24-17)16-10-7-12-3-1-2-4-15(12)20-16/h1-11H
InChIKeyNRLSSUJXYHQFLV-UHFFFAOYSA-N
XLogP4.47
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole?
The IUPAC name of 5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole (CID 134952084) is 5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole?
The canonical SMILES for 5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole is O=[N+]([O-])c1ccc(-c2cnc(-c3ccc4ccccc4n3)o2)cc1.
What is the InChIKey of 5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole?
The InChIKey is NRLSSUJXYHQFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O3/c22-21(23)14-8-5-13(6-9-14)17-11-19-18(24-17)16-10-7-12-3-1-2-4-15(12)20-16/h1-11H.
What are the key properties of 5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole?
5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole has a molecular weight of 317.30 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-2-quinolin-2-yl-1,3-oxazole is sourced from PubChem (CID 134952084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).