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

C8H6ClN3O2 — CID 13167828

IUPAC5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
SMILESNc1ccc(Cl)cc1-c1n[nH]c(=O)o1
InChIInChI=1S/C8H6ClN3O2/c9-4-1-2-6(10)5(3-4)7-11-12-8(13)14-7/h1-3H,10H2,(H,12,13)
InChIKeyAQQNTUSVGRQZKU-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.27
Rot. Bonds1

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

5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 13167828) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID13167828
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
SMILESNc1ccc(Cl)cc1-c1n[nH]c(=O)o1
InChIInChI=1S/C8H6ClN3O2/c9-4-1-2-6(10)5(3-4)7-11-12-8(13)14-7/h1-3H,10H2,(H,12,13)
InChIKeyAQQNTUSVGRQZKU-UHFFFAOYSA-N
XLogP1.27
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one (CID 13167828) is 5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one is Nc1ccc(Cl)cc1-c1n[nH]c(=O)o1.
What is the InChIKey of 5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is AQQNTUSVGRQZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c9-4-1-2-6(10)5(3-4)7-11-12-8(13)14-7/h1-3H,10H2,(H,12,13).
What are the key properties of 5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one?
5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 211.61 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 13167828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).