oxadiazole;quinoline

C11H9N3O — CID 134367398

IUPACoxadiazole;quinoline
SMILESc1ccc2ncccc2c1.c1conn1
InChIInChI=1S/C9H7N.C2H2N2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-4-3-1/h1-7H;1-2H
InChIKeyHMRCBLAEVOMPHP-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.30
Rot. Bonds

About oxadiazole;quinoline

oxadiazole;quinoline (PubChem CID 134367398) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is oxadiazole;quinoline.

Molecular Properties

Compound Nameoxadiazole;quinoline
PubChem CID134367398
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Nameoxadiazole;quinoline
SMILESc1ccc2ncccc2c1.c1conn1
InChIInChI=1S/C9H7N.C2H2N2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-4-3-1/h1-7H;1-2H
InChIKeyHMRCBLAEVOMPHP-UHFFFAOYSA-N
XLogP2.30
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxadiazole;quinoline?
The IUPAC name of oxadiazole;quinoline (CID 134367398) is oxadiazole;quinoline.
What is the SMILES notation for oxadiazole;quinoline?
The canonical SMILES for oxadiazole;quinoline is c1ccc2ncccc2c1.c1conn1.
What is the InChIKey of oxadiazole;quinoline?
The InChIKey is HMRCBLAEVOMPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C2H2N2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-4-3-1/h1-7H;1-2H.
What are the key properties of oxadiazole;quinoline?
oxadiazole;quinoline has a molecular weight of 199.21 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;quinoline is sourced from PubChem (CID 134367398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).