N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide

C17H14FN3O2 — CID 25284227

IUPACN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide
SMILESCCc1nnc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)o1
InChIInChI=1S/C17H14FN3O2/c1-2-15-20-21-17(23-15)12-5-9-14(10-6-12)19-16(22)11-3-7-13(18)8-4-11/h3-10H,2H2,1H3,(H,19,22)
InChIKeyIQEFMFWAJKKLQB-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.69
Rot. Bonds4

About N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide

N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide (PubChem CID 25284227) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide
PubChem CID25284227
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide
SMILESCCc1nnc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)o1
InChIInChI=1S/C17H14FN3O2/c1-2-15-20-21-17(23-15)12-5-9-14(10-6-12)19-16(22)11-3-7-13(18)8-4-11/h3-10H,2H2,1H3,(H,19,22)
InChIKeyIQEFMFWAJKKLQB-UHFFFAOYSA-N
XLogP3.69
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide (CID 25284227) is N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide is CCc1nnc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)o1.
What is the InChIKey of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide?
The InChIKey is IQEFMFWAJKKLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-2-15-20-21-17(23-15)12-5-9-14(10-6-12)19-16(22)11-3-7-13(18)8-4-11/h3-10H,2H2,1H3,(H,19,22).
What are the key properties of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide?
N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide has a molecular weight of 311.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 25284227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).