N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide

C18H16FN3O2 — CID 110333805

IUPACN-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(-c2ccccc2F)o1)NCc1ccccc1
InChIInChI=1S/C18H16FN3O2/c19-15-9-5-4-8-14(15)18-22-21-17(24-18)11-10-16(23)20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,23)
InChIKeyFBOZKPMLPYSNEA-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.12
Rot. Bonds6

About N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110333805) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110333805
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(-c2ccccc2F)o1)NCc1ccccc1
InChIInChI=1S/C18H16FN3O2/c19-15-9-5-4-8-14(15)18-22-21-17(24-18)11-10-16(23)20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,23)
InChIKeyFBOZKPMLPYSNEA-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
N-benzyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334721
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
CID 110333794
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 110334156
N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334732
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958
1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea
CID 110320970
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide
CID 110319915
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110318991
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42567051

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110333805) is N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCc1nnc(-c2ccccc2F)o1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is FBOZKPMLPYSNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-15-9-5-4-8-14(15)18-22-21-17(24-18)11-10-16(23)20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,23).
What are the key properties of N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 325.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110333805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).