[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

C54H47N9O5S — CID 161059932

IUPAC[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
SMILESOCC1(c2nn(Cc3ccccc3)c3ccccc23)C=NCO1.OCc1coc(-c2nn(Cc3ccccc3)c3ccccc23)n1.OCc1csc(-c2nn(Cc3ccccc3)c3ccccc23)n1
InChIInChI=1S/C18H17N3O2.C18H15N3O2.C18H15N3OS/c22-12-18(11-19-13-23-18)17-15-8-4-5-9-16(15)21(20-17)10-14-6-2-1-3-7-14;2*22-11-14-12-23-18(19-14)17-15-8-4-5-9-16(15)21(20-17)10-13-6-2-1-3-7-13/h1-9,11,22H,10,12-13H2;2*1-9,12,22H,10-11H2
InChIKeyUDGMGWMFJIFMBI-UHFFFAOYSA-N
MW934.09 g/mol
LogP9.26
Rot. Bonds12

About [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

[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 (PubChem CID 161059932) has the molecular formula C54H47N9O5S and a molecular weight of 934.09 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID161059932
Molecular FormulaC54H47N9O5S
Molecular Weight934.09 g/mol
Exact Mass933.34
IUPAC Name[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
SMILESOCC1(c2nn(Cc3ccccc3)c3ccccc23)C=NCO1.OCc1coc(-c2nn(Cc3ccccc3)c3ccccc23)n1.OCc1csc(-c2nn(Cc3ccccc3)c3ccccc23)n1
InChIInChI=1S/C18H17N3O2.C18H15N3O2.C18H15N3OS/c22-12-18(11-19-13-23-18)17-15-8-4-5-9-16(15)21(20-17)10-14-6-2-1-3-7-14;2*22-11-14-12-23-18(19-14)17-15-8-4-5-9-16(15)21(20-17)10-13-6-2-1-3-7-13/h1-9,11,22H,10,12-13H2;2*1-9,12,22H,10-11H2
InChIKeyUDGMGWMFJIFMBI-UHFFFAOYSA-N
XLogP9.26
TPSA174.66 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500934.09
LogP ≤ 59.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze [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 with MolForge

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Related Compounds

[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
[2-(1-Phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol
CID 158957573
[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;[2-(1-benzylindazol-3-yl)-1,3-thiazol-4-yl]methanol
CID 161379427

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is OCC1(c2nn(Cc3ccccc3)c3ccccc23)C=NCO1.OCc1coc(-c2nn(Cc3ccccc3)c3ccccc23)n1.OCc1csc(-c2nn(Cc3ccccc3)c3ccccc23)n1.
What is the InChIKey of [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?
The InChIKey is UDGMGWMFJIFMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2.C18H15N3O2.C18H15N3OS/c22-12-18(11-19-13-23-18)17-15-8-4-5-9-16(15)21(20-17)10-14-6-2-1-3-7-14;2*22-11-14-12-23-18(19-14)17-15-8-4-5-9-16(15)21(20-17)10-13-6-2-1-3-7-13/h1-9,11,22H,10,12-13H2;2*1-9,12,22H,10-11H2.
What are the key properties of [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?
[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 has a molecular weight of 934.09 g/mol, XLogP of 9.26, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 161059932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).