[2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol

C19H17N3O2 — CID 18416669

IUPAC[2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol
SMILESCc1nc(-c2nn(Cc3ccccc3)c3ccccc23)oc1CO
InChIInChI=1S/C19H17N3O2/c1-13-17(12-23)24-19(20-13)18-15-9-5-6-10-16(15)22(21-18)11-14-7-3-2-4-8-14/h2-10,23H,11-12H2,1H3
InChIKeyHOBXQGLRSHZNPT-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.54
Rot. Bonds4

About [2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol

[2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol (PubChem CID 18416669) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is [2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol
PubChem CID18416669
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name[2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol
SMILESCc1nc(-c2nn(Cc3ccccc3)c3ccccc23)oc1CO
InChIInChI=1S/C19H17N3O2/c1-13-17(12-23)24-19(20-13)18-15-9-5-6-10-16(15)22(21-18)11-14-7-3-2-4-8-14/h2-10,23H,11-12H2,1H3
InChIKeyHOBXQGLRSHZNPT-UHFFFAOYSA-N
XLogP3.54
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol?
The IUPAC name of [2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol (CID 18416669) is [2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol is Cc1nc(-c2nn(Cc3ccccc3)c3ccccc23)oc1CO.
What is the InChIKey of [2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol?
The InChIKey is HOBXQGLRSHZNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-17(12-23)24-19(20-13)18-15-9-5-6-10-16(15)22(21-18)11-14-7-3-2-4-8-14/h2-10,23H,11-12H2,1H3.
What are the key properties of [2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol?
[2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol has a molecular weight of 319.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 18416669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).