3-(1,2,5-oxadiazol-3-yl)benzamide

C9H7N3O2 — CID 142794316

IUPAC3-(1,2,5-oxadiazol-3-yl)benzamide
SMILESNC(=O)c1cccc(-c2cnon2)c1
InChIInChI=1S/C9H7N3O2/c10-9(13)7-3-1-2-6(4-7)8-5-11-14-12-8/h1-5H,(H2,10,13)
InChIKeyWZAXHLOAOIMGCU-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.84
Rot. Bonds2

About 3-(1,2,5-oxadiazol-3-yl)benzamide

3-(1,2,5-oxadiazol-3-yl)benzamide (PubChem CID 142794316) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-(1,2,5-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(1,2,5-oxadiazol-3-yl)benzamide
PubChem CID142794316
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name3-(1,2,5-oxadiazol-3-yl)benzamide
SMILESNC(=O)c1cccc(-c2cnon2)c1
InChIInChI=1S/C9H7N3O2/c10-9(13)7-3-1-2-6(4-7)8-5-11-14-12-8/h1-5H,(H2,10,13)
InChIKeyWZAXHLOAOIMGCU-UHFFFAOYSA-N
XLogP0.84
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,5-oxadiazol-3-yl)benzamide?
The IUPAC name of 3-(1,2,5-oxadiazol-3-yl)benzamide (CID 142794316) is 3-(1,2,5-oxadiazol-3-yl)benzamide.
What is the SMILES notation for 3-(1,2,5-oxadiazol-3-yl)benzamide?
The canonical SMILES for 3-(1,2,5-oxadiazol-3-yl)benzamide is NC(=O)c1cccc(-c2cnon2)c1.
What is the InChIKey of 3-(1,2,5-oxadiazol-3-yl)benzamide?
The InChIKey is WZAXHLOAOIMGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-9(13)7-3-1-2-6(4-7)8-5-11-14-12-8/h1-5H,(H2,10,13).
What are the key properties of 3-(1,2,5-oxadiazol-3-yl)benzamide?
3-(1,2,5-oxadiazol-3-yl)benzamide has a molecular weight of 189.17 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,5-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 142794316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).