2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol

C17H12FN3O4 — CID 3549902

IUPAC2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCc1ccc([N+](=O)[O-])cc1/N=C/c1nc(-c2ccccc2F)oc1O
InChIInChI=1S/C17H12FN3O4/c1-10-6-7-11(21(23)24)8-14(10)19-9-15-17(22)25-16(20-15)12-4-2-3-5-13(12)18/h2-9,22H,1H3/b19-9+
InChIKeyFXRAWYOXCMLFTE-DJKKODMXSA-N
MW341.30 g/mol
LogP4.15
Rot. Bonds4

About 2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol

2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol (PubChem CID 3549902) has the molecular formula C17H12FN3O4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol
PubChem CID3549902
Molecular FormulaC17H12FN3O4
Molecular Weight341.30 g/mol
Exact Mass341.08
IUPAC Name2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCc1ccc([N+](=O)[O-])cc1/N=C/c1nc(-c2ccccc2F)oc1O
InChIInChI=1S/C17H12FN3O4/c1-10-6-7-11(21(23)24)8-14(10)19-9-15-17(22)25-16(20-15)12-4-2-3-5-13(12)18/h2-9,22H,1H3/b19-9+
InChIKeyFXRAWYOXCMLFTE-DJKKODMXSA-N
XLogP4.15
TPSA101.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol (CID 3549902) is 2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol is Cc1ccc([N+](=O)[O-])cc1/N=C/c1nc(-c2ccccc2F)oc1O.
What is the InChIKey of 2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol?
The InChIKey is FXRAWYOXCMLFTE-DJKKODMXSA-N. The full InChI is InChI=1S/C17H12FN3O4/c1-10-6-7-11(21(23)24)8-14(10)19-9-15-17(22)25-16(20-15)12-4-2-3-5-13(12)18/h2-9,22H,1H3/b19-9+.
What are the key properties of 2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol?
2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol has a molecular weight of 341.30 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-[(2-methyl-5-nitrophenyl)iminomethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 3549902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).