4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol

C14H10ClN3O2 — CID 118611397

IUPAC4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C14H10ClN3O2/c15-10-3-1-9(2-4-10)13-17-14(20-18-13)16-11-5-7-12(19)8-6-11/h1-8,19H,(H,16,17,18)
InChIKeyQLOTVRJFRWWMKZ-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.84
Rot. Bonds3

About 4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol

4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol (PubChem CID 118611397) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol.

Molecular Properties

Compound Name4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol
PubChem CID118611397
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C14H10ClN3O2/c15-10-3-1-9(2-4-10)13-17-14(20-18-13)16-11-5-7-12(19)8-6-11/h1-8,19H,(H,16,17,18)
InChIKeyQLOTVRJFRWWMKZ-UHFFFAOYSA-N
XLogP3.84
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol?
The IUPAC name of 4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol (CID 118611397) is 4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol.
What is the SMILES notation for 4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol?
The canonical SMILES for 4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol is Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of 4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol?
The InChIKey is QLOTVRJFRWWMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-10-3-1-9(2-4-10)13-17-14(20-18-13)16-11-5-7-12(19)8-6-11/h1-8,19H,(H,16,17,18).
What are the key properties of 4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol?
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol has a molecular weight of 287.71 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]phenol is sourced from PubChem (CID 118611397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).