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

C14H10ClN3O2 — CID 107921176

IUPAC3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESNc1cc(-c2nc(-c3cccc(O)c3)no2)ccc1Cl
InChIInChI=1S/C14H10ClN3O2/c15-11-5-4-9(7-12(11)16)14-17-13(18-20-14)8-2-1-3-10(19)6-8/h1-7,19H,16H2
InChIKeyDUNYLWXHJLUNEY-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.34
Rot. Bonds2

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

3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 107921176) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID107921176
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESNc1cc(-c2nc(-c3cccc(O)c3)no2)ccc1Cl
InChIInChI=1S/C14H10ClN3O2/c15-11-5-4-9(7-12(11)16)14-17-13(18-20-14)8-2-1-3-10(19)6-8/h1-7,19H,16H2
InChIKeyDUNYLWXHJLUNEY-UHFFFAOYSA-N
XLogP3.34
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.34
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-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82788167
3-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103844013
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
CID 115079196
5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706897
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82802431
2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888710
3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921047
3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 80979825
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845255

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol (CID 107921176) is 3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol is Nc1cc(-c2nc(-c3cccc(O)c3)no2)ccc1Cl.
What is the InChIKey of 3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is DUNYLWXHJLUNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-11-5-4-9(7-12(11)16)14-17-13(18-20-14)8-2-1-3-10(19)6-8/h1-7,19H,16H2.
What are the key properties of 3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 287.71 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 107921176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).