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

C20H15N3O2 — CID 137028381

IUPAC4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(Nc4ccccc4)cc3)no2)cc1
InChIInChI=1S/C20H15N3O2/c24-18-12-8-15(9-13-18)20-22-19(23-25-20)14-6-10-17(11-7-14)21-16-4-2-1-3-5-16/h1-13,21,24H
InChIKeyMMEMCHWQGIWQCS-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.85
Rot. Bonds4

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

4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137028381) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137028381
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(Nc4ccccc4)cc3)no2)cc1
InChIInChI=1S/C20H15N3O2/c24-18-12-8-15(9-13-18)20-22-19(23-25-20)14-6-10-17(11-7-14)21-16-4-2-1-3-5-16/h1-13,21,24H
InChIKeyMMEMCHWQGIWQCS-UHFFFAOYSA-N
XLogP4.85
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-(3-(4-Hydroxyphenyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoic acid
CID 135800177
N-[4-[(E)-2-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
CID 135419176
4-[3-(4-Iodophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136099769
2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenol
CID 3244230
4-[5-(4-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 4899129
4-[3-(4-Phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 118730430
N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 118730576
4-(3-Phenyl-[1,2,4]oxadiazol-5-yl)-phenol
CID 135878213
2-Amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136961500
4-[3-(4-Benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028416
4-[3-(4-Aminophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028426

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 137028381) is 4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(-c3ccc(Nc4ccccc4)cc3)no2)cc1.
What is the InChIKey of 4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is MMEMCHWQGIWQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-18-12-8-15(9-13-18)20-22-19(23-25-20)14-6-10-17(11-7-14)21-16-4-2-1-3-5-16/h1-13,21,24H.
What are the key properties of 4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 329.36 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137028381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).