3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol

C15H13N3O3 — CID 107921255

IUPAC3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(NCc2nc(-c3cccc(O)c3)no2)cc1
InChIInChI=1S/C15H13N3O3/c19-12-6-4-11(5-7-12)16-9-14-17-15(18-21-14)10-2-1-3-13(20)8-10/h1-8,16,19-20H,9H2
InChIKeyKUWUOYWCHVNGIE-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.76
Rot. Bonds4

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

3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 107921255) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID107921255
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(NCc2nc(-c3cccc(O)c3)no2)cc1
InChIInChI=1S/C15H13N3O3/c19-12-6-4-11(5-7-12)16-9-14-17-15(18-21-14)10-2-1-3-13(20)8-10/h1-8,16,19-20H,9H2
InChIKeyKUWUOYWCHVNGIE-UHFFFAOYSA-N
XLogP2.76
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103832480
3-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 114016052
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60683326
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide
CID 154803213
3,4-dichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771036
3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921209
3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103822428
methyl 3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343201
3,5-dichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771037
3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 113310677
3-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62503643

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol (CID 107921255) is 3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol is Oc1ccc(NCc2nc(-c3cccc(O)c3)no2)cc1.
What is the InChIKey of 3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is KUWUOYWCHVNGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-12-6-4-11(5-7-12)16-9-14-17-15(18-21-14)10-2-1-3-13(20)8-10/h1-8,16,19-20H,9H2.
What are the key properties of 3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol?
3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 283.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 107921255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).