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

C17H15FN4O2 — CID 110330727

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NCc1ccncc1
InChIInChI=1S/C17H15FN4O2/c18-14-4-2-1-3-13(14)17-21-16(24-22-17)6-5-15(23)20-11-12-7-9-19-10-8-12/h1-4,7-10H,5-6,11H2,(H,20,23)
InChIKeyMBSUGWXJESSNFF-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.52
Rot. Bonds6

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

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 110330727) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID110330727
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NCc1ccncc1
InChIInChI=1S/C17H15FN4O2/c18-14-4-2-1-3-13(14)17-21-16(24-22-17)6-5-15(23)20-11-12-7-9-19-10-8-12/h1-4,7-10H,5-6,11H2,(H,20,23)
InChIKeyMBSUGWXJESSNFF-UHFFFAOYSA-N
XLogP2.52
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 866835
N-[(2-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330856
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3243551
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 156585056
N-[(2-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18105801
3-cyclopentyl-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 46263221
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 15999074
N-[4-(dimethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330757
2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323403
N-(3-chloro-4-methylphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330752
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 146039835

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide (CID 110330727) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide is O=C(CCc1nc(-c2ccccc2F)no1)NCc1ccncc1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is MBSUGWXJESSNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-14-4-2-1-3-13(14)17-21-16(24-22-17)6-5-15(23)20-11-12-7-9-19-10-8-12/h1-4,7-10H,5-6,11H2,(H,20,23).
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 326.33 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 110330727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).