5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole

C16H9F3N2O3 — CID 175523591

IUPAC5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESO=[N+]([O-])c1cccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)o2)c1
InChIInChI=1S/C16H9F3N2O3/c17-16(18,19)12-6-4-10(5-7-12)15-20-9-14(24-15)11-2-1-3-13(8-11)21(22)23/h1-9H
InChIKeyZXJNQYSLASEUMU-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.94
Rot. Bonds3

About 5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole

5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 175523591) has the molecular formula C16H9F3N2O3 and a molecular weight of 334.25 g/mol. Its IUPAC name is 5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID175523591
Molecular FormulaC16H9F3N2O3
Molecular Weight334.25 g/mol
Exact Mass334.06
IUPAC Name5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESO=[N+]([O-])c1cccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)o2)c1
InChIInChI=1S/C16H9F3N2O3/c17-16(18,19)12-6-4-10(5-7-12)15-20-9-14(24-15)11-2-1-3-13(8-11)21(22)23/h1-9H
InChIKeyZXJNQYSLASEUMU-UHFFFAOYSA-N
XLogP4.94
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 175523591) is 5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is O=[N+]([O-])c1cccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)o2)c1.
What is the InChIKey of 5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is ZXJNQYSLASEUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O3/c17-16(18,19)12-6-4-10(5-7-12)15-20-9-14(24-15)11-2-1-3-13(8-11)21(22)23/h1-9H.
What are the key properties of 5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 334.25 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 175523591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).