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

C10H7FN2O3 — CID 154708968

IUPAC3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H7FN2O3/c1-6-10(13(14)15)9(12-16-6)7-2-4-8(11)5-3-7/h2-5H,1H3
InChIKeyTWBUFFRMHZOZFR-UHFFFAOYSA-N
MW222.18 g/mol
LogP2.70
Rot. Bonds2

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

3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole (PubChem CID 154708968) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole
PubChem CID154708968
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H7FN2O3/c1-6-10(13(14)15)9(12-16-6)7-2-4-8(11)5-3-7/h2-5H,1H3
InChIKeyTWBUFFRMHZOZFR-UHFFFAOYSA-N
XLogP2.70
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.70
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 3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole (CID 154708968) is 3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole is Cc1onc(-c2ccc(F)cc2)c1[N+](=O)[O-].
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole?
The InChIKey is TWBUFFRMHZOZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c1-6-10(13(14)15)9(12-16-6)7-2-4-8(11)5-3-7/h2-5H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole?
3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole has a molecular weight of 222.18 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole is sourced from PubChem (CID 154708968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).