2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol

C9H11N3O2 — CID 66117708

IUPAC2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol
SMILESCn1cncc1-c1cc(CCO)on1
InChIInChI=1S/C9H11N3O2/c1-12-6-10-5-9(12)8-4-7(2-3-13)14-11-8/h4-6,13H,2-3H2,1H3
InChIKeyGAKGSUFKTURSFW-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.61
Rot. Bonds3

About 2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol

2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol (PubChem CID 66117708) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol
PubChem CID66117708
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol
SMILESCn1cncc1-c1cc(CCO)on1
InChIInChI=1S/C9H11N3O2/c1-12-6-10-5-9(12)8-4-7(2-3-13)14-11-8/h4-6,13H,2-3H2,1H3
InChIKeyGAKGSUFKTURSFW-UHFFFAOYSA-N
XLogP0.61
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol (CID 66117708) is 2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol is Cn1cncc1-c1cc(CCO)on1.
What is the InChIKey of 2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is GAKGSUFKTURSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-12-6-10-5-9(12)8-4-7(2-3-13)14-11-8/h4-6,13H,2-3H2,1H3.
What are the key properties of 2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol?
2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 193.21 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 66117708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).