3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one

C8H7N3O2 — CID 135457094

IUPAC3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one
SMILESNc1ccccc1-c1noc(=O)[nH]1
InChIInChI=1S/C8H7N3O2/c9-6-4-2-1-3-5(6)7-10-8(12)13-11-7/h1-4H,9H2,(H,10,11,12)
InChIKeyOOYKFDMYANYAMD-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.61
Rot. Bonds1

About 3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one

3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one (PubChem CID 135457094) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one
PubChem CID135457094
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one
SMILESNc1ccccc1-c1noc(=O)[nH]1
InChIInChI=1S/C8H7N3O2/c9-6-4-2-1-3-5(6)7-10-8(12)13-11-7/h1-4H,9H2,(H,10,11,12)
InChIKeyOOYKFDMYANYAMD-UHFFFAOYSA-N
XLogP0.61
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Phenyl-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135418577
3-(3-Nitrophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135765438
3-(3-Aminophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135446412
3-(4-Nitrophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135702948
3-(4-Aminophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one hydrochloride
CID 135741323
[(E)-[(2-acetamido-6-fluorophenyl)-aminomethylidene]amino] acetate
CID 5713795
[(Z)-[(2-acetamido-6-fluorophenyl)-aminomethylidene]amino] acetate
CID 9583443
3-(4-Aminophenyl)-1,2,4-oxadiazol-5(2H)-one
CID 135453185
[1,2,4]Oxadiazolo[4,3-c]quinazolin-3-one
CID 389760
[(Z)-[amino(phenyl)methylidene]amino] N-phenylcarbamate
CID 13378098
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 133653090
Benzenecarboximidamide, N-[[(phenylamino)carbonyl]oxy]-
CID 354085

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one (CID 135457094) is 3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one is Nc1ccccc1-c1noc(=O)[nH]1.
What is the InChIKey of 3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one?
The InChIKey is OOYKFDMYANYAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-6-4-2-1-3-5(6)7-10-8(12)13-11-7/h1-4H,9H2,(H,10,11,12).
What are the key properties of 3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one?
3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one has a molecular weight of 177.16 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135457094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).