[5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol

C11H13N3O2 — CID 146273061

IUPAC[5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol
SMILESCCc1onc(-c2ccc(C)nn2)c1CO
InChIInChI=1S/C11H13N3O2/c1-3-10-8(6-15)11(14-16-10)9-5-4-7(2)12-13-9/h4-5,15H,3,6H2,1-2H3
InChIKeyBCNSYBPBOSIVLI-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.49
Rot. Bonds3

About [5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol

[5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol (PubChem CID 146273061) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol
PubChem CID146273061
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol
SMILESCCc1onc(-c2ccc(C)nn2)c1CO
InChIInChI=1S/C11H13N3O2/c1-3-10-8(6-15)11(14-16-10)9-5-4-7(2)12-13-9/h4-5,15H,3,6H2,1-2H3
InChIKeyBCNSYBPBOSIVLI-UHFFFAOYSA-N
XLogP1.49
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol (CID 146273061) is [5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol is CCc1onc(-c2ccc(C)nn2)c1CO.
What is the InChIKey of [5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol?
The InChIKey is BCNSYBPBOSIVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-10-8(6-15)11(14-16-10)9-5-4-7(2)12-13-9/h4-5,15H,3,6H2,1-2H3.
What are the key properties of [5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol?
[5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol has a molecular weight of 219.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 146273061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).