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

C8H7N3O2 — CID 3757781

IUPAC4-(5-amino-1,3,4-oxadiazol-2-yl)phenol
SMILESNc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C8H7N3O2/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,11)
InChIKeyIEQCJAQNEVFLQV-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.02
Rot. Bonds1

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

4-(5-amino-1,3,4-oxadiazol-2-yl)phenol (PubChem CID 3757781) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-oxadiazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5-amino-1,3,4-oxadiazol-2-yl)phenol
PubChem CID3757781
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4-(5-amino-1,3,4-oxadiazol-2-yl)phenol
SMILESNc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C8H7N3O2/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,11)
InChIKeyIEQCJAQNEVFLQV-UHFFFAOYSA-N
XLogP1.02
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Amino-[1,3,4]oxadiazol-2-yl)-2,6-di-tert-butyl-phenol
CID 135449130
5-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 356902
5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 679504
4-(5-Benzylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenol
CID 855989
5-(4-Ethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 2369673
5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-yl-cyanamide
CID 135786528
N-[5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-yl]-guanidine
CID 135786539
4-[5-(4-Iodophenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135971468
4-(1,3,4-Oxadiazol-2-yl)phenol
CID 714770
4-(5-Cyclohexylmethylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenol
CID 649051
2-(4-Methoxyphenyl)-5-propyl-1,3,4-oxadiazole
CID 833644
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 4425060

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)phenol?
The IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)phenol (CID 3757781) is 4-(5-amino-1,3,4-oxadiazol-2-yl)phenol.
What is the SMILES notation for 4-(5-amino-1,3,4-oxadiazol-2-yl)phenol?
The canonical SMILES for 4-(5-amino-1,3,4-oxadiazol-2-yl)phenol is Nc1nnc(-c2ccc(O)cc2)o1.
What is the InChIKey of 4-(5-amino-1,3,4-oxadiazol-2-yl)phenol?
The InChIKey is IEQCJAQNEVFLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,11).
What are the key properties of 4-(5-amino-1,3,4-oxadiazol-2-yl)phenol?
4-(5-amino-1,3,4-oxadiazol-2-yl)phenol has a molecular weight of 177.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-oxadiazol-2-yl)phenol is sourced from PubChem (CID 3757781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).