5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole

C15H9FN2O3 — CID 142469500

IUPAC5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3cccc(F)c3)on2)cc1
InChIInChI=1S/C15H9FN2O3/c16-12-3-1-2-11(8-12)15-9-14(17-21-15)10-4-6-13(7-5-10)18(19)20/h1-9H
InChIKeyMSBLXPAQTNKMMM-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.06
Rot. Bonds3

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

5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole (PubChem CID 142469500) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole
PubChem CID142469500
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3cccc(F)c3)on2)cc1
InChIInChI=1S/C15H9FN2O3/c16-12-3-1-2-11(8-12)15-9-14(17-21-15)10-4-6-13(7-5-10)18(19)20/h1-9H
InChIKeyMSBLXPAQTNKMMM-UHFFFAOYSA-N
XLogP4.06
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.06
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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Related Compounds

5-(4-methylphenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 139215074
3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole
CID 165349290
2,6-bis(3-fluorophenyl)-4-nitropyridine
CID 46313659
5-chloro-3-(4-nitrophenyl)-1,2-oxazole
CID 15258968
2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8964938
5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile
CID 116858951
3-(4-nitrophenyl)-5-(2-phenylmethoxyphenyl)-1,2-oxazole
CID 2817496
3-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 169224083
1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene
CID 46312637
3-(4-nitrophenyl)oxazin-6-one
CID 759154
2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1203817
3-(3-nitrophenyl)-1,2-oxazol-5-amine
CID 20983345

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole?
The IUPAC name of 5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole (CID 142469500) is 5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole is O=[N+]([O-])c1ccc(-c2cc(-c3cccc(F)c3)on2)cc1.
What is the InChIKey of 5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole?
The InChIKey is MSBLXPAQTNKMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-12-3-1-2-11(8-12)15-9-14(17-21-15)10-4-6-13(7-5-10)18(19)20/h1-9H.
What are the key properties of 5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole?
5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole has a molecular weight of 284.25 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole is sourced from PubChem (CID 142469500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).