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

C14H11N3O2 — CID 137028426

IUPAC4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C14H11N3O2/c15-11-5-1-9(2-6-11)13-16-14(19-17-13)10-3-7-12(18)8-4-10/h1-8,18H,15H2
InChIKeyQUMFHALHGIRCRU-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.69
Rot. Bonds2

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

4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137028426) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137028426
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C14H11N3O2/c15-11-5-1-9(2-6-11)13-16-14(19-17-13)10-3-7-12(18)8-4-10/h1-8,18H,15H2
InChIKeyQUMFHALHGIRCRU-UHFFFAOYSA-N
XLogP2.69
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
4-[3-(1-Methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 135567363
4-[3-(2-methylphenyl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,5-dien-1-one
CID 798302
2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenol
CID 3244230
4-(3-Pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136699782
4-[5-(4-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
4-[3-(4-Phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 118730430
4-(3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl)phenol
CID 135878207
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 137028426) is 4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol is Nc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is QUMFHALHGIRCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-11-5-1-9(2-6-11)13-16-14(19-17-13)10-3-7-12(18)8-4-10/h1-8,18H,15H2.
What are the key properties of 4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 253.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137028426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).