5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole

C15H14N4O — CID 154766227

IUPAC5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole
SMILESc1cc(N2CCCC2)ncc1-c1ccc2nonc2c1
InChIInChI=1S/C15H14N4O/c1-2-8-19(7-1)15-6-4-12(10-16-15)11-3-5-13-14(9-11)18-20-17-13/h3-6,9-10H,1-2,7-8H2
InChIKeyIPBZTMQXVUXDNZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.88
Rot. Bonds2

About 5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole

5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole (PubChem CID 154766227) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole
PubChem CID154766227
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole
SMILESc1cc(N2CCCC2)ncc1-c1ccc2nonc2c1
InChIInChI=1S/C15H14N4O/c1-2-8-19(7-1)15-6-4-12(10-16-15)11-3-5-13-14(9-11)18-20-17-13/h3-6,9-10H,1-2,7-8H2
InChIKeyIPBZTMQXVUXDNZ-UHFFFAOYSA-N
XLogP2.88
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole?
The IUPAC name of 5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole (CID 154766227) is 5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole?
The canonical SMILES for 5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole is c1cc(N2CCCC2)ncc1-c1ccc2nonc2c1.
What is the InChIKey of 5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole?
The InChIKey is IPBZTMQXVUXDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-8-19(7-1)15-6-4-12(10-16-15)11-3-5-13-14(9-11)18-20-17-13/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole?
5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole has a molecular weight of 266.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-pyrrolidin-1-yl-3-pyridinyl)-2,1,3-benzoxadiazole is sourced from PubChem (CID 154766227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).