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

C17H18N4O2 — CID 110456516

IUPAC2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol
SMILESCN(C)Cc1ccc(-c2nnc(Nc3ccccc3O)o2)cc1
InChIInChI=1S/C17H18N4O2/c1-21(2)11-12-7-9-13(10-8-12)16-19-20-17(23-16)18-14-5-3-4-6-15(14)22/h3-10,22H,11H2,1-2H3,(H,18,20)
InChIKeyITROLXOHFOLRHN-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.25
Rot. Bonds5

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

2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol (PubChem CID 110456516) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol
PubChem CID110456516
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol
SMILESCN(C)Cc1ccc(-c2nnc(Nc3ccccc3O)o2)cc1
InChIInChI=1S/C17H18N4O2/c1-21(2)11-12-7-9-13(10-8-12)16-19-20-17(23-16)18-14-5-3-4-6-15(14)22/h3-10,22H,11H2,1-2H3,(H,18,20)
InChIKeyITROLXOHFOLRHN-UHFFFAOYSA-N
XLogP3.25
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-(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
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
3-[5-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]-1,1-dimethylurea
CID 162722020
4-[[5-[4-(2-Cyclohexylethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol
CID 118611422
N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18126283
N-(2-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 132279030

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol?
The IUPAC name of 2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol (CID 110456516) is 2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol.
What is the SMILES notation for 2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol?
The canonical SMILES for 2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol is CN(C)Cc1ccc(-c2nnc(Nc3ccccc3O)o2)cc1.
What is the InChIKey of 2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol?
The InChIKey is ITROLXOHFOLRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21(2)11-12-7-9-13(10-8-12)16-19-20-17(23-16)18-14-5-3-4-6-15(14)22/h3-10,22H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol?
2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol has a molecular weight of 310.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-[(dimethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol is sourced from PubChem (CID 110456516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).