4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine

C15H10FN3O3 — CID 155520575

IUPAC4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O3/c16-11-5-1-9(2-6-11)13-14(18-22-15(13)17)10-3-7-12(8-4-10)19(20)21/h1-8H,17H2
InChIKeyBGJSANZFSWHCQF-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.64
Rot. Bonds3

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

4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine (PubChem CID 155520575) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine
PubChem CID155520575
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O3/c16-11-5-1-9(2-6-11)13-14(18-22-15(13)17)10-3-7-12(8-4-10)19(20)21/h1-8H,17H2
InChIKeyBGJSANZFSWHCQF-UHFFFAOYSA-N
XLogP3.64
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
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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Related Compounds

4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole
CID 155538929
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine
CID 102922007
3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43335899
4-(4-fluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670755
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 62830346
7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 17172564
3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole
CID 154708968
4-(4-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335890

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine (CID 155520575) is 4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine?
The InChIKey is BGJSANZFSWHCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-11-5-1-9(2-6-11)13-14(18-22-15(13)17)10-3-7-12(8-4-10)19(20)21/h1-8H,17H2.
What are the key properties of 4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine?
4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine has a molecular weight of 299.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 155520575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).