benzamide;oxadiazole

C9H9N3O2 — CID 90416500

IUPACbenzamide;oxadiazole
SMILESNC(=O)c1ccccc1.c1conn1
InChIInChI=1S/C7H7NO.C2H2N2O/c8-7(9)6-4-2-1-3-5-6;1-2-5-4-3-1/h1-5H,(H2,8,9);1-2H
InChIKeyNZSGUHDPEFFZPI-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.86
Rot. Bonds1

About benzamide;oxadiazole

benzamide;oxadiazole (PubChem CID 90416500) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is benzamide;oxadiazole.

Molecular Properties

Compound Namebenzamide;oxadiazole
PubChem CID90416500
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namebenzamide;oxadiazole
SMILESNC(=O)c1ccccc1.c1conn1
InChIInChI=1S/C7H7NO.C2H2N2O/c8-7(9)6-4-2-1-3-5-6;1-2-5-4-3-1/h1-5H,(H2,8,9);1-2H
InChIKeyNZSGUHDPEFFZPI-UHFFFAOYSA-N
XLogP0.86
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzamide;oxadiazole?
The IUPAC name of benzamide;oxadiazole (CID 90416500) is benzamide;oxadiazole.
What is the SMILES notation for benzamide;oxadiazole?
The canonical SMILES for benzamide;oxadiazole is NC(=O)c1ccccc1.c1conn1.
What is the InChIKey of benzamide;oxadiazole?
The InChIKey is NZSGUHDPEFFZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C2H2N2O/c8-7(9)6-4-2-1-3-5-6;1-2-5-4-3-1/h1-5H,(H2,8,9);1-2H.
What are the key properties of benzamide;oxadiazole?
benzamide;oxadiazole has a molecular weight of 191.19 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;oxadiazole is sourced from PubChem (CID 90416500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).