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

C18H15N3O2 — CID 15840351

IUPAC[2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol
SMILESOCc1cnc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C18H15N3O2/c22-12-14-10-19-18(23-14)17-15-8-4-5-9-16(15)21(20-17)11-13-6-2-1-3-7-13/h1-10,22H,11-12H2
InChIKeyKEQNTUXGSPBQFI-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.23
Rot. Bonds4

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

[2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol (PubChem CID 15840351) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is [2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol
PubChem CID15840351
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name[2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol
SMILESOCc1cnc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C18H15N3O2/c22-12-14-10-19-18(23-14)17-15-8-4-5-9-16(15)21(20-17)11-13-6-2-1-3-7-13/h1-10,22H,11-12H2
InChIKeyKEQNTUXGSPBQFI-UHFFFAOYSA-N
XLogP3.23
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.23
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)-1,3-oxazol-5-yl]methanol?
The IUPAC name of [2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol (CID 15840351) is [2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol is OCc1cnc(-c2nn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of [2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol?
The InChIKey is KEQNTUXGSPBQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-12-14-10-19-18(23-14)17-15-8-4-5-9-16(15)21(20-17)11-13-6-2-1-3-7-13/h1-10,22H,11-12H2.
What are the key properties of [2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol?
[2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol has a molecular weight of 305.34 g/mol, XLogP of 3.23, 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)-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 15840351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).