5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde

C8H10N2O2 — CID 83863028

IUPAC5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde
SMILESCN1CCc2onc(C=O)c2C1
InChIInChI=1S/C8H10N2O2/c1-10-3-2-8-6(4-10)7(5-11)9-12-8/h5H,2-4H2,1H3
InChIKeyVQMQSJHOFOLEQX-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.47
Rot. Bonds1

About 5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde

5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde (PubChem CID 83863028) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde
PubChem CID83863028
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde
SMILESCN1CCc2onc(C=O)c2C1
InChIInChI=1S/C8H10N2O2/c1-10-3-2-8-6(4-10)7(5-11)9-12-8/h5H,2-4H2,1H3
InChIKeyVQMQSJHOFOLEQX-UHFFFAOYSA-N
XLogP0.47
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-formyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylate
CID 83866825
6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 83862963
1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 83863026
1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105474398
3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione
CID 67557020
5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 58863298
5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
CID 83871848
2-tert-butyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carbaldehyde
CID 82392623
3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid
CID 83858771
5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde
CID 83862944
2-amino-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-4-carbaldehyde
CID 83862997
6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde
CID 83862948

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde (CID 83863028) is 5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde is CN1CCc2onc(C=O)c2C1.
What is the InChIKey of 5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde?
The InChIKey is VQMQSJHOFOLEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-3-2-8-6(4-10)7(5-11)9-12-8/h5H,2-4H2,1H3.
What are the key properties of 5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde?
5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 83863028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).