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

C16H11FN2O3 — CID 155538929

IUPAC4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole
SMILESCc1onc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O3/c1-10-15(11-2-6-13(17)7-3-11)16(18-22-10)12-4-8-14(9-5-12)19(20)21/h2-9H,1H3
InChIKeyGBIKJGZDULQWSH-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.36
Rot. Bonds3

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

4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole (PubChem CID 155538929) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole
PubChem CID155538929
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole
SMILESCc1onc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O3/c1-10-15(11-2-6-13(17)7-3-11)16(18-22-10)12-4-8-14(9-5-12)19(20)21/h2-9H,1H3
InChIKeyGBIKJGZDULQWSH-UHFFFAOYSA-N
XLogP4.36
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.36
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

4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine
CID 155520575
3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole
CID 154708968
trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane
CID 158258419
3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole
CID 23725483
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
ethyl 3-(4-methylphenyl)-4-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 102360140
3-methyl-4-(4-nitrophenyl)-1,2,5-oxadiazole
CID 13144101
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
5-butyl-4-(4-nitrophenyl)-3-phenyl-1,2-oxazole
CID 135031959
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(4-nitrophenyl)acetamide
CID 67197451
7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 17172564
4-(2-ethoxy-4-pyridinyl)-3-(4-fluorophenyl)-5-methyl-1,2-oxazole
CID 58659495

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole (CID 155538929) is 4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole is Cc1onc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole?
The InChIKey is GBIKJGZDULQWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c1-10-15(11-2-6-13(17)7-3-11)16(18-22-10)12-4-8-14(9-5-12)19(20)21/h2-9H,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole?
4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole has a molecular weight of 298.27 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole is sourced from PubChem (CID 155538929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).