2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol

C16H10N2O3S — CID 135445374

IUPAC2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)cc(-c4nccs4)c3o2)cc1
InChIInChI=1S/C16H10N2O3S/c19-10-3-1-9(2-4-10)15-18-13-8-11(20)7-12(14(13)21-15)16-17-5-6-22-16/h1-8,19-20H
InChIKeyOXLPXIPFCLXQSY-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.03
Rot. Bonds2

About 2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol

2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol (PubChem CID 135445374) has the molecular formula C16H10N2O3S and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol
PubChem CID135445374
Molecular FormulaC16H10N2O3S
Molecular Weight310.33 g/mol
Exact Mass310.04
IUPAC Name2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)cc(-c4nccs4)c3o2)cc1
InChIInChI=1S/C16H10N2O3S/c19-10-3-1-9(2-4-10)15-18-13-8-11(20)7-12(14(13)21-15)16-17-5-6-22-16/h1-8,19-20H
InChIKeyOXLPXIPFCLXQSY-UHFFFAOYSA-N
XLogP4.03
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol (CID 135445374) is 2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol is Oc1ccc(-c2nc3cc(O)cc(-c4nccs4)c3o2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol?
The InChIKey is OXLPXIPFCLXQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3S/c19-10-3-1-9(2-4-10)15-18-13-8-11(20)7-12(14(13)21-15)16-17-5-6-22-16/h1-8,19-20H.
What are the key properties of 2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol?
2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol has a molecular weight of 310.33 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135445374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).