4-(1,3,4-oxadiazol-2-yl)benzamide

C9H7N3O2 — CID 43236825

IUPAC4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C9H7N3O2/c10-8(13)6-1-3-7(4-2-6)9-12-11-5-14-9/h1-5H,(H2,10,13)
InChIKeyCDDMBGSCSKUNIN-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.84
Rot. Bonds2

About 4-(1,3,4-oxadiazol-2-yl)benzamide

4-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 43236825) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(1,3,4-oxadiazol-2-yl)benzamide
PubChem CID43236825
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C9H7N3O2/c10-8(13)6-1-3-7(4-2-6)9-12-11-5-14-9/h1-5H,(H2,10,13)
InChIKeyCDDMBGSCSKUNIN-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 4-(1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(1,3,4-oxadiazol-2-yl)benzamide (CID 43236825) is 4-(1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(1,3,4-oxadiazol-2-yl)benzamide is NC(=O)c1ccc(-c2nnco2)cc1.
What is the InChIKey of 4-(1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is CDDMBGSCSKUNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-8(13)6-1-3-7(4-2-6)9-12-11-5-14-9/h1-5H,(H2,10,13).
What are the key properties of 4-(1,3,4-oxadiazol-2-yl)benzamide?
4-(1,3,4-oxadiazol-2-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 4-(1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 43236825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).