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

C14H8Cl2N2O3 — CID 1257317

IUPAC4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2O)o1
InChIInChI=1S/C14H8Cl2N2O3/c15-7-1-3-11(19)9(5-7)13-17-18-14(21-13)10-6-8(16)2-4-12(10)20/h1-6,19-20H
InChIKeyNPTKCEIYFKHSCV-UHFFFAOYSA-N
MW323.14 g/mol
LogP4.12
Rot. Bonds2

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

4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 1257317) has the molecular formula C14H8Cl2N2O3 and a molecular weight of 323.14 g/mol. Its IUPAC name is 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID1257317
Molecular FormulaC14H8Cl2N2O3
Molecular Weight323.14 g/mol
Exact Mass321.99
IUPAC Name4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2O)o1
InChIInChI=1S/C14H8Cl2N2O3/c15-7-1-3-11(19)9(5-7)13-17-18-14(21-13)10-6-8(16)2-4-12(10)20/h1-6,19-20H
InChIKeyNPTKCEIYFKHSCV-UHFFFAOYSA-N
XLogP4.12
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
CID 114771081
4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
CID 135760691
2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771469
4-chloro-2-(4-chloro-2-fluorophenyl)phenol
CID 83130792
4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol
CID 137192993
2-[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenol
CID 712393
beryllium;hydride;2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
CID 174487083
4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 155569508
4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
CID 176729719
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
4-chloro-2-(3-methylphenyl)phenol
CID 83129691
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
CID 136920369

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (CID 1257317) is 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is Oc1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2O)o1.
What is the InChIKey of 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is NPTKCEIYFKHSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O3/c15-7-1-3-11(19)9(5-7)13-17-18-14(21-13)10-6-8(16)2-4-12(10)20/h1-6,19-20H.
What are the key properties of 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 323.14 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 1257317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).