3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide

C16H14N4O2 — CID 7100775

IUPAC3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nnc(-c2ccccn2)o1
InChIInChI=1S/C16H14N4O2/c21-14(10-9-12-6-2-1-3-7-12)18-16-20-19-15(22-16)13-8-4-5-11-17-13/h1-8,11H,9-10H2,(H,18,20,21)
InChIKeyAMYCUULIFKFHFO-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.70
Rot. Bonds5

About 3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide

3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 7100775) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID7100775
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nnc(-c2ccccn2)o1
InChIInChI=1S/C16H14N4O2/c21-14(10-9-12-6-2-1-3-7-12)18-16-20-19-15(22-16)13-8-4-5-11-17-13/h1-8,11H,9-10H2,(H,18,20,21)
InChIKeyAMYCUULIFKFHFO-UHFFFAOYSA-N
XLogP2.70
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of 3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 7100775) is 3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1ccccc1)Nc1nnc(-c2ccccn2)o1.
What is the InChIKey of 3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is AMYCUULIFKFHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-14(10-9-12-6-2-1-3-7-12)18-16-20-19-15(22-16)13-8-4-5-11-17-13/h1-8,11H,9-10H2,(H,18,20,21).
What are the key properties of 3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 294.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 7100775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).