4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide

C19H20N4O2 — CID 91917673

IUPAC4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESO=C(CCCc1ccccc1)NCCc1noc(-c2cccnc2)n1
InChIInChI=1S/C19H20N4O2/c24-18(10-4-8-15-6-2-1-3-7-15)21-13-11-17-22-19(25-23-17)16-9-5-12-20-14-16/h1-3,5-7,9,12,14H,4,8,10-11,13H2,(H,21,24)
InChIKeyVZOUVDRXXQIMQW-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.81
Rot. Bonds8

About 4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide

4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (PubChem CID 91917673) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
PubChem CID91917673
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESO=C(CCCc1ccccc1)NCCc1noc(-c2cccnc2)n1
InChIInChI=1S/C19H20N4O2/c24-18(10-4-8-15-6-2-1-3-7-15)21-13-11-17-22-19(25-23-17)16-9-5-12-20-14-16/h1-3,5-7,9,12,14H,4,8,10-11,13H2,(H,21,24)
InChIKeyVZOUVDRXXQIMQW-UHFFFAOYSA-N
XLogP2.81
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The IUPAC name of 4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (CID 91917673) is 4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The canonical SMILES for 4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is O=C(CCCc1ccccc1)NCCc1noc(-c2cccnc2)n1.
What is the InChIKey of 4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The InChIKey is VZOUVDRXXQIMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(10-4-8-15-6-2-1-3-7-15)21-13-11-17-22-19(25-23-17)16-9-5-12-20-14-16/h1-3,5-7,9,12,14H,4,8,10-11,13H2,(H,21,24).
What are the key properties of 4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide has a molecular weight of 336.40 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 91917673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).