4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide

C12H12N4O2 — CID 61252319

IUPAC4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESNc1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C12H12N4O2/c13-9-5-3-7(4-6-9)10(17)14-12-16-15-11(18-12)8-1-2-8/h3-6,8H,1-2,13H2,(H,14,16,17)
InChIKeyTUQDGYOMFYTNJC-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.78
Rot. Bonds3

About 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide

4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 61252319) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID61252319
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESNc1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C12H12N4O2/c13-9-5-3-7(4-6-9)10(17)14-12-16-15-11(18-12)8-1-2-8/h3-6,8H,1-2,13H2,(H,14,16,17)
InChIKeyTUQDGYOMFYTNJC-UHFFFAOYSA-N
XLogP1.78
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2051187
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2051172
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide
CID 169248580
4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4574435
4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703098
3,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
CID 61040500
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methylpyridine-2-carboxamide
CID 170421288
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4646426
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-cyclohexyloxypyridine-3-carboxamide
CID 155302591
4-fluoro-N-[5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884631
4-fluoro-N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393282
4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051211

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide (CID 61252319) is 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide is Nc1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1.
What is the InChIKey of 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is TUQDGYOMFYTNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-9-5-3-7(4-6-9)10(17)14-12-16-15-11(18-12)8-1-2-8/h3-6,8H,1-2,13H2,(H,14,16,17).
What are the key properties of 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 244.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 61252319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).