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

C14H7Cl3N2O2 — CID 136888720

IUPAC2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1Cl
InChIInChI=1S/C14H7Cl3N2O2/c15-9-3-8(4-10(16)6-9)13-18-14(21-19-13)7-1-2-12(20)11(17)5-7/h1-6,20H
InChIKeyODSGRVSPBZFSOH-UHFFFAOYSA-N
MW341.58 g/mol
LogP5.07
Rot. Bonds2

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

2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136888720) has the molecular formula C14H7Cl3N2O2 and a molecular weight of 341.58 g/mol. Its IUPAC name is 2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136888720
Molecular FormulaC14H7Cl3N2O2
Molecular Weight341.58 g/mol
Exact Mass339.96
IUPAC Name2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1Cl
InChIInChI=1S/C14H7Cl3N2O2/c15-9-3-8(4-10(16)6-9)13-18-14(21-19-13)7-1-2-12(20)11(17)5-7/h1-6,20H
InChIKeyODSGRVSPBZFSOH-UHFFFAOYSA-N
XLogP5.07
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888710
5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107918283
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136888724
2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol
CID 136932329
5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
CID 97058010
4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525094
4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136888723
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
CID 136920369
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904204
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol
CID 136509876

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136888720) is 2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is ODSGRVSPBZFSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O2/c15-9-3-8(4-10(16)6-9)13-18-14(21-19-13)7-1-2-12(20)11(17)5-7/h1-6,20H.
What are the key properties of 2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 341.58 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136888720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).