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

C20H15N3O3 — CID 136961503

IUPAC5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)c(O)c1
InChIInChI=1S/C20H15N3O3/c21-14-8-11-17(18(24)12-14)20-22-19(23-26-20)13-6-9-16(10-7-13)25-15-4-2-1-3-5-15/h1-12,24H,21H2
InChIKeyMPUMLPVBHWDHLO-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.48
Rot. Bonds4

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

5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136961503) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136961503
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)c(O)c1
InChIInChI=1S/C20H15N3O3/c21-14-8-11-17(18(24)12-14)20-22-19(23-26-20)13-6-9-16(10-7-13)25-15-4-2-1-3-5-15/h1-12,24H,21H2
InChIKeyMPUMLPVBHWDHLO-UHFFFAOYSA-N
XLogP4.48
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136961503) is 5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is Nc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)c(O)c1.
What is the InChIKey of 5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is MPUMLPVBHWDHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c21-14-8-11-17(18(24)12-14)20-22-19(23-26-20)13-6-9-16(10-7-13)25-15-4-2-1-3-5-15/h1-12,24H,21H2.
What are the key properties of 5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 345.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136961503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).