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

C9H11N3O2 — CID 66135520

IUPAC[3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol
SMILESCCn1cncc1-c1cc(CO)on1
InChIInChI=1S/C9H11N3O2/c1-2-12-6-10-4-9(12)8-3-7(5-13)14-11-8/h3-4,6,13H,2,5H2,1H3
InChIKeyZRAQWGBPGBZGQN-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.05
Rot. Bonds3

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

[3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol (PubChem CID 66135520) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol
PubChem CID66135520
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name[3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol
SMILESCCn1cncc1-c1cc(CO)on1
InChIInChI=1S/C9H11N3O2/c1-2-12-6-10-4-9(12)8-3-7(5-13)14-11-8/h3-4,6,13H,2,5H2,1H3
InChIKeyZRAQWGBPGBZGQN-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol (CID 66135520) is [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol is CCn1cncc1-c1cc(CO)on1.
What is the InChIKey of [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol?
The InChIKey is ZRAQWGBPGBZGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-2-12-6-10-4-9(12)8-3-7(5-13)14-11-8/h3-4,6,13H,2,5H2,1H3.
What are the key properties of [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol?
[3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol has a molecular weight of 193.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 66135520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).