2-(pyridin-3-yloxymethyl)-1,3-oxazole

C9H8N2O2 — CID 54003976

IUPAC2-(pyridin-3-yloxymethyl)-1,3-oxazole
SMILESc1cncc(OCc2ncco2)c1
InChIInChI=1S/C9H8N2O2/c1-2-8(6-10-3-1)13-7-9-11-4-5-12-9/h1-6H,7H2
InChIKeyZLGOLFONHNYXPY-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.65
Rot. Bonds3

About 2-(pyridin-3-yloxymethyl)-1,3-oxazole

2-(pyridin-3-yloxymethyl)-1,3-oxazole (PubChem CID 54003976) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-(pyridin-3-yloxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(pyridin-3-yloxymethyl)-1,3-oxazole
PubChem CID54003976
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name2-(pyridin-3-yloxymethyl)-1,3-oxazole
SMILESc1cncc(OCc2ncco2)c1
InChIInChI=1S/C9H8N2O2/c1-2-8(6-10-3-1)13-7-9-11-4-5-12-9/h1-6H,7H2
InChIKeyZLGOLFONHNYXPY-UHFFFAOYSA-N
XLogP1.65
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenoxy)methyl]-1,3-oxazole
CID 117186726
3-(furan-3-ylmethoxy)pyridine
CID 112558860
2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-oxazole
CID 142517338
2-methyl-N-[[2-(pyridin-3-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62451201
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3-(3-phenoxypropoxy)pyridine
CID 86195847
N-methyl-1-[2-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
CID 62451011
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558300
3-[(2,4,6-trimethylphenyl)methoxy]pyridine
CID 112558779
3-octadecoxypyridine
CID 175800212

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-yloxymethyl)-1,3-oxazole?
The IUPAC name of 2-(pyridin-3-yloxymethyl)-1,3-oxazole (CID 54003976) is 2-(pyridin-3-yloxymethyl)-1,3-oxazole.
What is the SMILES notation for 2-(pyridin-3-yloxymethyl)-1,3-oxazole?
The canonical SMILES for 2-(pyridin-3-yloxymethyl)-1,3-oxazole is c1cncc(OCc2ncco2)c1.
What is the InChIKey of 2-(pyridin-3-yloxymethyl)-1,3-oxazole?
The InChIKey is ZLGOLFONHNYXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-2-8(6-10-3-1)13-7-9-11-4-5-12-9/h1-6H,7H2.
What are the key properties of 2-(pyridin-3-yloxymethyl)-1,3-oxazole?
2-(pyridin-3-yloxymethyl)-1,3-oxazole has a molecular weight of 176.18 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-yloxymethyl)-1,3-oxazole is sourced from PubChem (CID 54003976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).