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

C10H8FN3O2 — CID 175927019

IUPAC3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C10H8FN3O2/c11-7-4-2-1-3-6(7)5-8-13-10(9(12)15)16-14-8/h1-4H,5H2,(H2,12,15)
InChIKeyLRYNUPHVUWGSMP-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.90
Rot. Bonds3

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

3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 175927019) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID175927019
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C10H8FN3O2/c11-7-4-2-1-3-6(7)5-8-13-10(9(12)15)16-14-8/h1-4H,5H2,(H2,12,15)
InChIKeyLRYNUPHVUWGSMP-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 3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 175927019) is 3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is NC(=O)c1nc(Cc2ccccc2F)no1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is LRYNUPHVUWGSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-7-4-2-1-3-6(7)5-8-13-10(9(12)15)16-14-8/h1-4H,5H2,(H2,12,15).
What are the key properties of 3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-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 3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 175927019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).