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

C16H13FN4O2 — CID 22520096

IUPAC5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1nnc(Cc2cccc(F)c2)o1
InChIInChI=1S/C16H13FN4O2/c17-12-5-3-4-11(8-12)9-14-20-21-16(23-14)15(22)19-10-13-6-1-2-7-18-13/h1-8H,9-10H2,(H,19,22)
InChIKeyFWCSTCKXVOUZKT-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.12
Rot. Bonds5

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

5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22520096) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID22520096
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1nnc(Cc2cccc(F)c2)o1
InChIInChI=1S/C16H13FN4O2/c17-12-5-3-4-11(8-12)9-14-20-21-16(23-14)15(22)19-10-13-6-1-2-7-18-13/h1-8H,9-10H2,(H,19,22)
InChIKeyFWCSTCKXVOUZKT-UHFFFAOYSA-N
XLogP2.12
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CID 22520096) is 5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccccn1)c1nnc(Cc2cccc(F)c2)o1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is FWCSTCKXVOUZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-12-5-3-4-11(8-12)9-14-20-21-16(23-14)15(22)19-10-13-6-1-2-7-18-13/h1-8H,9-10H2,(H,19,22).
What are the key properties of 5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22520096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).