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

C22H25N3O2 — CID 118611422

IUPAC4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nnc(-c3ccc(CCC4CCCCC4)cc3)o2)cc1
InChIInChI=1S/C22H25N3O2/c26-20-14-12-19(13-15-20)23-22-25-24-21(27-22)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h8-16,26H,1-7H2,(H,23,25)
InChIKeyOCAHECKAKZEKEV-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.70
Rot. Bonds6

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

4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol (PubChem CID 118611422) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol
PubChem CID118611422
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nnc(-c3ccc(CCC4CCCCC4)cc3)o2)cc1
InChIInChI=1S/C22H25N3O2/c26-20-14-12-19(13-15-20)23-22-25-24-21(27-22)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h8-16,26H,1-7H2,(H,23,25)
InChIKeyOCAHECKAKZEKEV-UHFFFAOYSA-N
XLogP5.70
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(4-Methoxyphenyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-amine
CID 49855368
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-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 49855366
4-(5-(4-Methoxyphenylamino)-1,3,4-oxadiazol-2-yl)benzonitrile
CID 49855564
4-(5-(Phenylamino)-1,3,4-oxadiazol-2-yl)phenol
CID 135998745
4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)amino]phenol
CID 118611377
4-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
CID 118611416
N-(4-methoxyphenyl)-5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-amine
CID 156102157

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol (CID 118611422) is 4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol is Oc1ccc(Nc2nnc(-c3ccc(CCC4CCCCC4)cc3)o2)cc1.
What is the InChIKey of 4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol?
The InChIKey is OCAHECKAKZEKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-20-14-12-19(13-15-20)23-22-25-24-21(27-22)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h8-16,26H,1-7H2,(H,23,25).
What are the key properties of 4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol?
4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol has a molecular weight of 363.46 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(2-cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol is sourced from PubChem (CID 118611422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).