5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one

C8H6ClN3O3 — CID 88845322

IUPAC5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(NO)cc2Cl)o1
InChIInChI=1S/C8H6ClN3O3/c9-6-3-4(12-14)1-2-5(6)7-10-11-8(13)15-7/h1-3,12,14H,(H,11,13)
InChIKeyQSEHEWCHASAVAS-UHFFFAOYSA-N
MW227.61 g/mol
LogP1.48
Rot. Bonds2

About 5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one

5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 88845322) has the molecular formula C8H6ClN3O3 and a molecular weight of 227.61 g/mol. Its IUPAC name is 5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID88845322
Molecular FormulaC8H6ClN3O3
Molecular Weight227.61 g/mol
Exact Mass227.01
IUPAC Name5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(NO)cc2Cl)o1
InChIInChI=1S/C8H6ClN3O3/c9-6-3-4(12-14)1-2-5(6)7-10-11-8(13)15-7/h1-3,12,14H,(H,11,13)
InChIKeyQSEHEWCHASAVAS-UHFFFAOYSA-N
XLogP1.48
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.61
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one (CID 88845322) is 5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(NO)cc2Cl)o1.
What is the InChIKey of 5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is QSEHEWCHASAVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O3/c9-6-3-4(12-14)1-2-5(6)7-10-11-8(13)15-7/h1-3,12,14H,(H,11,13).
What are the key properties of 5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 227.61 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-(hydroxyamino)phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 88845322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).