2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol

C11H12N2O2 — CID 104823802

IUPAC2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol
SMILESCc1ccc(-c2cc(CCO)on2)cn1
InChIInChI=1S/C11H12N2O2/c1-8-2-3-9(7-12-8)11-6-10(4-5-14)15-13-11/h2-3,6-7,14H,4-5H2,1H3
InChIKeyQHQYVPMURYVPKX-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.58
Rot. Bonds3

About 2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol

2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol (PubChem CID 104823802) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol
PubChem CID104823802
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol
SMILESCc1ccc(-c2cc(CCO)on2)cn1
InChIInChI=1S/C11H12N2O2/c1-8-2-3-9(7-12-8)11-6-10(4-5-14)15-13-11/h2-3,6-7,14H,4-5H2,1H3
InChIKeyQHQYVPMURYVPKX-UHFFFAOYSA-N
XLogP1.58
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol (CID 104823802) is 2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol is Cc1ccc(-c2cc(CCO)on2)cn1.
What is the InChIKey of 2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is QHQYVPMURYVPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-2-3-9(7-12-8)11-6-10(4-5-14)15-13-11/h2-3,6-7,14H,4-5H2,1H3.
What are the key properties of 2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol?
2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 204.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 104823802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).