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

C17H16N4O2 — CID 666208

IUPAC4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide
SMILESO=C(CCCc1nc(-c2ccccc2)no1)Nc1cccnc1
InChIInChI=1S/C17H16N4O2/c22-15(19-14-8-5-11-18-12-14)9-4-10-16-20-17(21-23-16)13-6-2-1-3-7-13/h1-3,5-8,11-12H,4,9-10H2,(H,19,22)
InChIKeyNNDPRNSFRNDCEU-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.09
Rot. Bonds6

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

4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide (PubChem CID 666208) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide
PubChem CID666208
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide
SMILESO=C(CCCc1nc(-c2ccccc2)no1)Nc1cccnc1
InChIInChI=1S/C17H16N4O2/c22-15(19-14-8-5-11-18-12-14)9-4-10-16-20-17(21-23-16)13-6-2-1-3-7-13/h1-3,5-8,11-12H,4,9-10H2,(H,19,22)
InChIKeyNNDPRNSFRNDCEU-UHFFFAOYSA-N
XLogP3.09
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide (CID 666208) is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide is O=C(CCCc1nc(-c2ccccc2)no1)Nc1cccnc1.
What is the InChIKey of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide?
The InChIKey is NNDPRNSFRNDCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-15(19-14-8-5-11-18-12-14)9-4-10-16-20-17(21-23-16)13-6-2-1-3-7-13/h1-3,5-8,11-12H,4,9-10H2,(H,19,22).
What are the key properties of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide?
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide has a molecular weight of 308.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 666208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).