4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide

C17H16N4O2 — CID 56891914

IUPAC4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide
SMILESCC(C)c1noc(-c2ccc(-c3ccc(C(N)=O)cc3)nc2)n1
InChIInChI=1S/C17H16N4O2/c1-10(2)16-20-17(23-21-16)13-7-8-14(19-9-13)11-3-5-12(6-4-11)15(18)22/h3-10H,1-2H3,(H2,18,22)
InChIKeyBKAMTTWIUHIMHG-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.02
Rot. Bonds4

About 4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide

4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide (PubChem CID 56891914) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide
PubChem CID56891914
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide
SMILESCC(C)c1noc(-c2ccc(-c3ccc(C(N)=O)cc3)nc2)n1
InChIInChI=1S/C17H16N4O2/c1-10(2)16-20-17(23-21-16)13-7-8-14(19-9-13)11-3-5-12(6-4-11)15(18)22/h3-10H,1-2H3,(H2,18,22)
InChIKeyBKAMTTWIUHIMHG-UHFFFAOYSA-N
XLogP3.02
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide (CID 56891914) is 4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide is CC(C)c1noc(-c2ccc(-c3ccc(C(N)=O)cc3)nc2)n1.
What is the InChIKey of 4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide?
The InChIKey is BKAMTTWIUHIMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-10(2)16-20-17(23-21-16)13-7-8-14(19-9-13)11-3-5-12(6-4-11)15(18)22/h3-10H,1-2H3,(H2,18,22).
What are the key properties of 4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide?
4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 56891914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).