[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol

C34H26N6O3S — CID 157297047

IUPAC[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)o1.OCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)s1
InChIInChI=1S/C17H13N3O2.C17H13N3OS/c2*21-11-13-10-18-17(22-13)16-14-8-4-5-9-15(14)20(19-16)12-6-2-1-3-7-12/h2*1-10,21H,11H2
InChIKeyBBLSCOMQUKWPEQ-UHFFFAOYSA-N
MW598.69 g/mol
LogP6.81
Rot. Bonds6

About [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol

[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 157297047) 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-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol
PubChem CID157297047
Molecular FormulaC34H26N6O3S
Molecular Weight598.69 g/mol
Exact Mass598.18
IUPAC Name[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)o1.OCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)s1
InChIInChI=1S/C17H13N3O2.C17H13N3OS/c2*21-11-13-10-18-17(22-13)16-14-8-4-5-9-15(14)20(19-16)12-6-2-1-3-7-12/h2*1-10,21H,11H2
InChIKeyBBLSCOMQUKWPEQ-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-Benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol
CID 15840351
[2-(1-Phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol
CID 21106942
[2-(1-Benzylindazol-3-yl)-3-methylimidazol-4-yl]methanol;[2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-benzylindazol-3-yl)-1,3-thiazol-5-yl]methanol
CID 157917136
[1-Methyl-5-(1-phenylindazol-3-yl)imidazol-2-yl]methanol;[5-(1-phenylindazol-3-yl)-1,3-oxazol-2-yl]methanol;[5-(1-phenylindazol-3-yl)-1,3-thiazol-2-yl]methanol
CID 158560839
[2-(1-Phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol
CID 158957573
[1-Methyl-4-(1-phenylindazol-3-yl)imidazol-2-yl]methanol;[5-(1-phenylindazol-3-yl)-1,3-oxazol-2-yl]methanol;[5-(1-phenylindazol-3-yl)-1,3-thiazol-2-yl]methanol
CID 159010429
[3-Methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol
CID 160750264
[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-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol (CID 157297047) is [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol is OCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)o1.OCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)s1.
What is the InChIKey of [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is BBLSCOMQUKWPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2.C17H13N3OS/c2*21-11-13-10-18-17(22-13)16-14-8-4-5-9-15(14)20(19-16)12-6-2-1-3-7-12/h2*1-10,21H,11H2.
What are the key properties of [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol?
[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-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-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 157297047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).