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

C14H11N3O2 — CID 118611377

IUPAC4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol
SMILESOc1ccc(Nc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C14H11N3O2/c18-12-8-6-11(7-9-12)15-14-17-16-13(19-14)10-4-2-1-3-5-10/h1-9,18H,(H,15,17)
InChIKeyZDEUGYOUAMRQCV-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.19
Rot. Bonds3

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

4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol (PubChem CID 118611377) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol
PubChem CID118611377
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol
SMILESOc1ccc(Nc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C14H11N3O2/c18-12-8-6-11(7-9-12)15-14-17-16-13(19-14)10-4-2-1-3-5-10/h1-9,18H,(H,15,17)
InChIKeyZDEUGYOUAMRQCV-UHFFFAOYSA-N
XLogP3.19
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 1547963
N-(4-Methoxyphenyl)-5-p-tolyl-1,3,4-oxadiazol-2-amine
CID 49855369
N,5-bis(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 49855566
5-(4-(Trifluoromethyl)phenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 49857867
4-(5-(Phenylamino)-1,3,4-oxadiazol-2-yl)benzonitrile
CID 49858060
N-(4-Methoxyphenyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-amine
CID 49855368
N-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 49855565
4-[[5-[4-(Trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol
CID 118611367
4-[[5-(4-Iodophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
CID 118611394
N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]benzamide
CID 142452080
5-(4-methoxyphenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 13901969

Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol?
The IUPAC name of 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol (CID 118611377) is 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol.
What is the SMILES notation for 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol?
The canonical SMILES for 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol is Oc1ccc(Nc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol?
The InChIKey is ZDEUGYOUAMRQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-12-8-6-11(7-9-12)15-14-17-16-13(19-14)10-4-2-1-3-5-10/h1-9,18H,(H,15,17).
What are the key properties of 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol?
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol has a molecular weight of 253.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenol is sourced from PubChem (CID 118611377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).