[2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol

C34H26N6O3S — CID 158957573

IUPAC[2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol
SMILESOCc1coc(-c2nn(-c3ccccc3)c3ccccc23)n1.OCc1csc(-c2nn(-c3ccccc3)c3ccccc23)n1
InChIInChI=1S/C17H13N3O2.C17H13N3OS/c2*21-10-12-11-22-17(18-12)16-14-8-4-5-9-15(14)20(19-16)13-6-2-1-3-7-13/h2*1-9,11,21H,10H2
InChIKeyJMEVVIMDBFEQMR-UHFFFAOYSA-N
MW598.69 g/mol
LogP6.81
Rot. Bonds6

About [2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol

[2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol (PubChem CID 158957573) has the molecular formula C34H26N6O3S and a molecular weight of 598.69 g/mol. Its IUPAC name is [2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol
PubChem CID158957573
Molecular FormulaC34H26N6O3S
Molecular Weight598.69 g/mol
Exact Mass598.18
IUPAC Name[2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol
SMILESOCc1coc(-c2nn(-c3ccccc3)c3ccccc23)n1.OCc1csc(-c2nn(-c3ccccc3)c3ccccc23)n1
InChIInChI=1S/C17H13N3O2.C17H13N3OS/c2*21-10-12-11-22-17(18-12)16-14-8-4-5-9-15(14)20(19-16)13-6-2-1-3-7-13/h2*1-9,11,21H,10H2
InChIKeyJMEVVIMDBFEQMR-UHFFFAOYSA-N
XLogP6.81
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.69
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

[2-(1-Phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol
CID 21106941
[2-(1-Phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol
CID 157297047
[1-Methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol
CID 157574639
[4-(1-Benzylindazol-3-yl)-1,3-oxazol-2-yl]methanol;[4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol
CID 159252804
[2-(1-benzylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[5-(1-benzylindazol-3-yl)-2H-1,3-oxazol-5-yl]methanol;[2-(1-benzylindazol-3-yl)-1,3-thiazol-4-yl]methanol
CID 161059932
[2-(1-Benzylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-benzylindazol-3-yl)-1,3-thiazol-4-yl]methanol
CID 161379427

Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol (CID 158957573) is [2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol is OCc1coc(-c2nn(-c3ccccc3)c3ccccc23)n1.OCc1csc(-c2nn(-c3ccccc3)c3ccccc23)n1.
What is the InChIKey of [2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol?
The InChIKey is JMEVVIMDBFEQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2.C17H13N3OS/c2*21-10-12-11-22-17(18-12)16-14-8-4-5-9-15(14)20(19-16)13-6-2-1-3-7-13/h2*1-9,11,21H,10H2.
What are the key properties of [2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol?
[2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol has a molecular weight of 598.69 g/mol, XLogP of 6.81, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 158957573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).