N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide

C16H12FN3O2 — CID 3426335

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H12FN3O2/c1-10-4-2-3-5-13(10)14(21)18-16-20-19-15(22-16)11-6-8-12(17)9-7-11/h2-9H,1H3,(H,18,20,21)
InChIKeyCSGYNROSKNDKIS-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.44
Rot. Bonds3

About N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide (PubChem CID 3426335) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
PubChem CID3426335
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H12FN3O2/c1-10-4-2-3-5-13(10)14(21)18-16-20-19-15(22-16)11-6-8-12(17)9-7-11/h2-9H,1H3,(H,18,20,21)
InChIKeyCSGYNROSKNDKIS-UHFFFAOYSA-N
XLogP3.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide (CID 3426335) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide?
The InChIKey is CSGYNROSKNDKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-10-4-2-3-5-13(10)14(21)18-16-20-19-15(22-16)11-6-8-12(17)9-7-11/h2-9H,1H3,(H,18,20,21).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide has a molecular weight of 297.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide is sourced from PubChem (CID 3426335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).