5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole

C15H14N4O2 — CID 146124457

IUPAC5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCC(C)Oc1ncccc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C15H14N4O2/c1-10(2)20-14-11(6-5-9-17-14)15-18-13(19-21-15)12-7-3-4-8-16-12/h3-10H,1-2H3
InChIKeyOPTYXNGUKAHXGQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.98
Rot. Bonds4

About 5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole

5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 146124457) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID146124457
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCC(C)Oc1ncccc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C15H14N4O2/c1-10(2)20-14-11(6-5-9-17-14)15-18-13(19-21-15)12-7-3-4-8-16-12/h3-10H,1-2H3
InChIKeyOPTYXNGUKAHXGQ-UHFFFAOYSA-N
XLogP2.98
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 1484241
5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 750612
3-pyridin-2-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912385
3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39819329
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 59047177
(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875727
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330865

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 146124457) is 5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole is CC(C)Oc1ncccc1-c1nc(-c2ccccn2)no1.
What is the InChIKey of 5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is OPTYXNGUKAHXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10(2)20-14-11(6-5-9-17-14)15-18-13(19-21-15)12-7-3-4-8-16-12/h3-10H,1-2H3.
What are the key properties of 5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 282.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 146124457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).