5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide

C18H16FN3O2 — CID 110392294

IUPAC5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C18H16FN3O2/c19-15-11-5-4-10-14(15)17-21-22-18(24-17)16(23)20-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,20,23)
InChIKeyPZJAHEOLTJTUDC-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.24
Rot. Bonds6

About 5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide

5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392294) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392294
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C18H16FN3O2/c19-15-11-5-4-10-14(15)17-21-22-18(24-17)16(23)20-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,20,23)
InChIKeyPZJAHEOLTJTUDC-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392260
N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392233
5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392448
N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392324
5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391659
5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide
CID 110391277
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
CID 110333794
N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333805
5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392269
N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393441
5-(2-fluorophenyl)-N-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392375

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392294) is 5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCCCc1ccccc1)c1nnc(-c2ccccc2F)o1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is PZJAHEOLTJTUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-15-11-5-4-10-14(15)17-21-22-18(24-17)16(23)20-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,20,23).
What are the key properties of 5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide?
5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).