5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole

C12H9FN4O — CID 53015246

IUPAC5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(Cn3ccnc3)no2)cc1
InChIInChI=1S/C12H9FN4O/c13-10-3-1-9(2-4-10)12-15-11(16-18-12)7-17-6-5-14-8-17/h1-6,8H,7H2
InChIKeyOWLVBNGUWRQJNR-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.12
Rot. Bonds3

About 5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole

5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 53015246) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID53015246
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(Cn3ccnc3)no2)cc1
InChIInChI=1S/C12H9FN4O/c13-10-3-1-9(2-4-10)12-15-11(16-18-12)7-17-6-5-14-8-17/h1-6,8H,7H2
InChIKeyOWLVBNGUWRQJNR-UHFFFAOYSA-N
XLogP2.12
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole (CID 53015246) is 5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole is Fc1ccc(-c2nc(Cn3ccnc3)no2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is OWLVBNGUWRQJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c13-10-3-1-9(2-4-10)12-15-11(16-18-12)7-17-6-5-14-8-17/h1-6,8H,7H2.
What are the key properties of 5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 244.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53015246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).