5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole

C14H13N3O — CID 147243385

IUPAC5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole
SMILESCC(C)c1ncccc1-c1ccc2nonc2c1
InChIInChI=1S/C14H13N3O/c1-9(2)14-11(4-3-7-15-14)10-5-6-12-13(8-10)17-18-16-12/h3-9H,1-2H3
InChIKeyCLFHQSTUBPSNKX-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.41
Rot. Bonds2

About 5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole

5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole (PubChem CID 147243385) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole
PubChem CID147243385
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole
SMILESCC(C)c1ncccc1-c1ccc2nonc2c1
InChIInChI=1S/C14H13N3O/c1-9(2)14-11(4-3-7-15-14)10-5-6-12-13(8-10)17-18-16-12/h3-9H,1-2H3
InChIKeyCLFHQSTUBPSNKX-UHFFFAOYSA-N
XLogP3.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-2-propan-2-ylpyridine
CID 90162322
5-(4-methylphenyl)-2,1,3-benzoxadiazole
CID 176952924
3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine
CID 90162283
5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole
CID 123601065
N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide
CID 90162280
3-(2-methylphenyl)-2-propan-2-ylpyridine
CID 90162287
3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine
CID 71204410
2-butan-2-yl-3-(4-methylphenyl)pyridine
CID 144506190
2-(difluoromethyl)-3-(3-methylphenyl)pyridine
CID 178100787
3-methylsulfanyl-2-propan-2-ylpyridine
CID 18741288
N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide
CID 135215672
2-methyl-6-(2-methyl-3-pyridinyl)quinoline
CID 90167611

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole?
The IUPAC name of 5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole (CID 147243385) is 5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole?
The canonical SMILES for 5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole is CC(C)c1ncccc1-c1ccc2nonc2c1.
What is the InChIKey of 5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole?
The InChIKey is CLFHQSTUBPSNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9(2)14-11(4-3-7-15-14)10-5-6-12-13(8-10)17-18-16-12/h3-9H,1-2H3.
What are the key properties of 5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole?
5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole has a molecular weight of 239.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yl-3-pyridinyl)-2,1,3-benzoxadiazole is sourced from PubChem (CID 147243385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).