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

C16H10ClFN2O2 — CID 4011439

IUPAC4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2F)nc1/C=N/c1ccccc1Cl
InChIInChI=1S/C16H10ClFN2O2/c17-11-6-2-4-8-13(11)19-9-14-16(21)22-15(20-14)10-5-1-3-7-12(10)18/h1-9,21H/b19-9+
InChIKeyOLVGAUCFMMBVBX-DJKKODMXSA-N
MW316.72 g/mol
LogP4.59
Rot. Bonds3

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

4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol (PubChem CID 4011439) has the molecular formula C16H10ClFN2O2 and a molecular weight of 316.72 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol
PubChem CID4011439
Molecular FormulaC16H10ClFN2O2
Molecular Weight316.72 g/mol
Exact Mass316.04
IUPAC Name4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2F)nc1/C=N/c1ccccc1Cl
InChIInChI=1S/C16H10ClFN2O2/c17-11-6-2-4-8-13(11)19-9-14-16(21)22-15(20-14)10-5-1-3-7-12(10)18/h1-9,21H/b19-9+
InChIKeyOLVGAUCFMMBVBX-DJKKODMXSA-N
XLogP4.59
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol (CID 4011439) is 4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol is Oc1oc(-c2ccccc2F)nc1/C=N/c1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol?
The InChIKey is OLVGAUCFMMBVBX-DJKKODMXSA-N. The full InChI is InChI=1S/C16H10ClFN2O2/c17-11-6-2-4-8-13(11)19-9-14-16(21)22-15(20-14)10-5-1-3-7-12(10)18/h1-9,21H/b19-9+.
What are the key properties of 4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol?
4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol has a molecular weight of 316.72 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 4011439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).