5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C10H8FN3O2 — CID 22431523

IUPAC5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C10H8FN3O2/c11-7-3-1-6(2-4-7)5-8-13-14-10(16-8)9(12)15/h1-4H,5H2,(H2,12,15)
InChIKeyWARVZOPATGTHBG-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.90
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431523) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431523
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C10H8FN3O2/c11-7-3-1-6(2-4-7)5-8-13-14-10(16-8)9(12)15/h1-4H,5H2,(H2,12,15)
InChIKeyWARVZOPATGTHBG-UHFFFAOYSA-N
XLogP0.90
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 22431523) is 5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is NC(=O)c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is WARVZOPATGTHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-7-3-1-6(2-4-7)5-8-13-14-10(16-8)9(12)15/h1-4H,5H2,(H2,12,15).
What are the key properties of 5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 221.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).