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

C15H13N3O2 — CID 110456485

IUPAC4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
SMILESCc1ccccc1-c1nnc(Nc2ccc(O)cc2)o1
InChIInChI=1S/C15H13N3O2/c1-10-4-2-3-5-13(10)14-17-18-15(20-14)16-11-6-8-12(19)9-7-11/h2-9,19H,1H3,(H,16,18)
InChIKeyPZLMBESKKXBEEG-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.49
Rot. Bonds3

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

4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol (PubChem CID 110456485) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
PubChem CID110456485
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
SMILESCc1ccccc1-c1nnc(Nc2ccc(O)cc2)o1
InChIInChI=1S/C15H13N3O2/c1-10-4-2-3-5-13(10)14-17-18-15(20-14)16-11-6-8-12(19)9-7-11/h2-9,19H,1H3,(H,16,18)
InChIKeyPZLMBESKKXBEEG-UHFFFAOYSA-N
XLogP3.49
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.49
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

5-(2-methyl-3-pyridinyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 143729405
5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 2815521
4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 155569508
N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide
CID 17171765
2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 19060529
N-(4-fluorophenyl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 71527254
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493
4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol
CID 137250320
2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole
CID 102525584
2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 15957134

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol (CID 110456485) is 4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol is Cc1ccccc1-c1nnc(Nc2ccc(O)cc2)o1.
What is the InChIKey of 4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol?
The InChIKey is PZLMBESKKXBEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-4-2-3-5-13(10)14-17-18-15(20-14)16-11-6-8-12(19)9-7-11/h2-9,19H,1H3,(H,16,18).
What are the key properties of 4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol?
4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol has a molecular weight of 267.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol is sourced from PubChem (CID 110456485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).