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

C16H14N4O2 — CID 3159538

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)Nc1cccnc1
InChIInChI=1S/C16H14N4O2/c21-14(18-13-7-4-10-17-11-13)8-9-15-19-16(20-22-15)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,18,21)
InChIKeyDOWSRDIKGZYWHI-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.70
Rot. Bonds5

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

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide (PubChem CID 3159538) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide
PubChem CID3159538
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)Nc1cccnc1
InChIInChI=1S/C16H14N4O2/c21-14(18-13-7-4-10-17-11-13)8-9-15-19-16(20-22-15)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,18,21)
InChIKeyDOWSRDIKGZYWHI-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-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide (CID 3159538) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide is O=C(CCc1nc(-c2ccccc2)no1)Nc1cccnc1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide?
The InChIKey is DOWSRDIKGZYWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-14(18-13-7-4-10-17-11-13)8-9-15-19-16(20-22-15)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,18,21).
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide 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-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 3159538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).