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

C12H11N3O2 — CID 151597822

IUPAC[5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol
SMILESCn1cc2cc(-c3cc(CO)no3)ccc2n1
InChIInChI=1S/C12H11N3O2/c1-15-6-9-4-8(2-3-11(9)13-15)12-5-10(7-16)14-17-12/h2-6,16H,7H2,1H3
InChIKeyQJVNQECOUYCNIL-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.72
Rot. Bonds2

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

[5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol (PubChem CID 151597822) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is [5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol
PubChem CID151597822
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name[5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol
SMILESCn1cc2cc(-c3cc(CO)no3)ccc2n1
InChIInChI=1S/C12H11N3O2/c1-15-6-9-4-8(2-3-11(9)13-15)12-5-10(7-16)14-17-12/h2-6,16H,7H2,1H3
InChIKeyQJVNQECOUYCNIL-UHFFFAOYSA-N
XLogP1.72
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol (CID 151597822) is [5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol is Cn1cc2cc(-c3cc(CO)no3)ccc2n1.
What is the InChIKey of [5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol?
The InChIKey is QJVNQECOUYCNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-15-6-9-4-8(2-3-11(9)13-15)12-5-10(7-16)14-17-12/h2-6,16H,7H2,1H3.
What are the key properties of [5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol?
[5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol has a molecular weight of 229.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylindazol-5-yl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 151597822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).