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

C17H15FN4O2 — CID 46956959

IUPAC3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCc1nnc(-c2ccncc2)o1
InChIInChI=1S/C17H15FN4O2/c18-14-4-2-1-3-12(14)5-6-15(23)20-11-16-21-22-17(24-16)13-7-9-19-10-8-13/h1-4,7-10H,5-6,11H2,(H,20,23)
InChIKeyTWDJMVSOWNXMKE-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.52
Rot. Bonds6

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

3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide (PubChem CID 46956959) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
PubChem CID46956959
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCc1nnc(-c2ccncc2)o1
InChIInChI=1S/C17H15FN4O2/c18-14-4-2-1-3-12(14)5-6-15(23)20-11-16-21-22-17(24-16)13-7-9-19-10-8-13/h1-4,7-10H,5-6,11H2,(H,20,23)
InChIKeyTWDJMVSOWNXMKE-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-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335037
4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110606896
N-[(2-fluorophenyl)methyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334300
N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318804
N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide
CID 135963159
N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330476
2-(3-methoxyphenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92599497
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110408611
N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333805
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-phenoxyacetamide
CID 110319129
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330528

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide (CID 46956959) is 3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide is O=C(CCc1ccccc1F)NCc1nnc(-c2ccncc2)o1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The InChIKey is TWDJMVSOWNXMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-14-4-2-1-3-12(14)5-6-15(23)20-11-16-21-22-17(24-16)13-7-9-19-10-8-13/h1-4,7-10H,5-6,11H2,(H,20,23).
What are the key properties of 3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]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-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 46956959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).