methoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde

C12H14N2O3 — CID 178138128

IUPACmethoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde
SMILESCOC.Cc1c(-c2ccccn2)noc1C=O
InChIInChI=1S/C10H8N2O2.C2H6O/c1-7-9(6-13)14-12-10(7)8-4-2-3-5-11-8;1-3-2/h2-6H,1H3;1-2H3
InChIKeyFJVJBFMAQSBGMX-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.12
Rot. Bonds2

About methoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde

methoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde (PubChem CID 178138128) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Namemethoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde
PubChem CID178138128
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde
SMILESCOC.Cc1c(-c2ccccn2)noc1C=O
InChIInChI=1S/C10H8N2O2.C2H6O/c1-7-9(6-13)14-12-10(7)8-4-2-3-5-11-8;1-3-2/h2-6H,1H3;1-2H3
InChIKeyFJVJBFMAQSBGMX-UHFFFAOYSA-N
XLogP2.12
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde?
The IUPAC name of methoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde (CID 178138128) is methoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for methoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for methoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde is COC.Cc1c(-c2ccccn2)noc1C=O.
What is the InChIKey of methoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde?
The InChIKey is FJVJBFMAQSBGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.C2H6O/c1-7-9(6-13)14-12-10(7)8-4-2-3-5-11-8;1-3-2/h2-6H,1H3;1-2H3.
What are the key properties of methoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde?
methoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde has a molecular weight of 234.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;4-methyl-3-pyridin-2-yl-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 178138128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).