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

C20H15N3O2 — CID 118730430

IUPAC4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1
InChIInChI=1S/C20H15N3O2/c21-16-10-6-15(7-11-16)20-22-19(23-25-20)14-8-12-18(13-9-14)24-17-4-2-1-3-5-17/h1-13H,21H2
InChIKeyOYDKEVZQAYGODR-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.78
Rot. Bonds4

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

4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 118730430) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID118730430
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1
InChIInChI=1S/C20H15N3O2/c21-16-10-6-15(7-11-16)20-22-19(23-25-20)14-8-12-18(13-9-14)24-17-4-2-1-3-5-17/h1-13H,21H2
InChIKeyOYDKEVZQAYGODR-UHFFFAOYSA-N
XLogP4.78
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3236979
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
2-(4-methoxyphenyl)-N-{4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}acetamide
CID 2201684
N-{4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(2-methoxyphenyl)acetamide
CID 2202984
N-{4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-methoxyphenyl)acetamide
CID 3236909
N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 665676
4-[4-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide
CID 1864443
N-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-piperidinecarboxamide
CID 20904885
4-[3-(3,4,5-Trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008175
3-(3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl)quinolin-4(1H)-one
CID 135636059
3-[(3,4-Dimethoxyphenyl)methyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 870347
2-(4-methoxyphenyl)-N-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}acetamide
CID 3238986

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 118730430) is 4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline is Nc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1.
What is the InChIKey of 4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is OYDKEVZQAYGODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c21-16-10-6-15(7-11-16)20-22-19(23-25-20)14-8-12-18(13-9-14)24-17-4-2-1-3-5-17/h1-13H,21H2.
What are the key properties of 4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline?
4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 329.36 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 118730430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).