2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol

C13H8ClNO3 — CID 135443280

IUPAC2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc2oc(-c3ccc(O)c(Cl)c3)nc2c1
InChIInChI=1S/C13H8ClNO3/c14-9-5-7(1-3-11(9)17)13-15-10-6-8(16)2-4-12(10)18-13/h1-6,16-17H
InChIKeyXCJCSWQYKSCDIH-UHFFFAOYSA-N
MW261.66 g/mol
LogP3.56
Rot. Bonds1

About 2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol

2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol (PubChem CID 135443280) has the molecular formula C13H8ClNO3 and a molecular weight of 261.66 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
PubChem CID135443280
Molecular FormulaC13H8ClNO3
Molecular Weight261.66 g/mol
Exact Mass261.02
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc2oc(-c3ccc(O)c(Cl)c3)nc2c1
InChIInChI=1S/C13H8ClNO3/c14-9-5-7(1-3-11(9)17)13-15-10-6-8(16)2-4-12(10)18-13/h1-6,16-17H
InChIKeyXCJCSWQYKSCDIH-UHFFFAOYSA-N
XLogP3.56
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tafamidis
CID 11001318
Prinaberel
CID 656954
Way-200070
CID 135418373
2-(4-Chlorophenyl)benzoxazole
CID 14355
4-(1,3-Benzoxazol-2-yl)-2,6-dimethylphenol
CID 135566325
4-(6-Methyl-benzooxazol-2-yl)-phenol
CID 834576
5-Benzoxazolol, 2-(4-hydroxyphenyl)-
CID 135405741
7-Ethynyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135409723
2-(4-Hydroxy-phenyl)-7-methoxy-benzooxazol-5-ol
CID 135409725
2-(4-Hydroxy-phenyl)-7-phenyl-benzooxazol-5-ol
CID 135409756
7-Ethyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135442585
2-(4-Hydroxy-phenyl)-7-isopropyl-benzooxazol-5-ol
CID 135442595

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol (CID 135443280) is 2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol is Oc1ccc2oc(-c3ccc(O)c(Cl)c3)nc2c1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is XCJCSWQYKSCDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3/c14-9-5-7(1-3-11(9)17)13-15-10-6-8(16)2-4-12(10)18-13/h1-6,16-17H.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol has a molecular weight of 261.66 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135443280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).