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

C18H16FN3O2 — CID 6621785

IUPAC5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H16FN3O2/c19-15-8-6-14(7-9-15)12-16-21-22-18(24-16)17(23)20-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,23)
InChIKeyCDWSFSOGEDJUBN-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.77
Rot. Bonds6

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

5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 6621785) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID6621785
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H16FN3O2/c19-15-8-6-14(7-9-15)12-16-21-22-18(24-16)17(23)20-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,23)
InChIKeyCDWSFSOGEDJUBN-UHFFFAOYSA-N
XLogP2.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.77
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]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 6621785) is 5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCCc1ccccc1)c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is CDWSFSOGEDJUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-15-8-6-14(7-9-15)12-16-21-22-18(24-16)17(23)20-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,23).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 6621785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).