5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C9H14N2O — CID 123792674

IUPAC5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCCCN1CCc2oncc2C1
InChIInChI=1S/C9H14N2O/c1-2-4-11-5-3-9-8(7-11)6-10-12-9/h6H,2-5,7H2,1H3
InChIKeyQMCFGYJUJRGBML-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.44
Rot. Bonds2

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

5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 123792674) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID123792674
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCCCN1CCc2oncc2C1
InChIInChI=1S/C9H14N2O/c1-2-4-11-5-3-9-8(7-11)6-10-12-9/h6H,2-5,7H2,1H3
InChIKeyQMCFGYJUJRGBML-UHFFFAOYSA-N
XLogP1.44
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine hydrochloride
CID 73553615
4,5,6,7-Tetrahydroisoxazolo[4,5-c]pyridine
CID 10486848
2-methyl-6-(4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-5-carbonyl)pyridazin-3(2H)-one
CID 86265120
tert-butyl 6,7-dihydroisoxazolo[4,5-c]pyridine-5(4H)-carboxylate
CID 119099187
4,5,6,7-Tetrahydro-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 175720389
4-((4,4-Difluoropiperidin-1-yl)methyl)-5-methylisoxazole
CID 121174277
4-[(3-Fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 154760034
5-Ethyl-4-methyl-1,2-oxazole
CID 54106033
N,N-dimethyl-6,7-dihydroisoxazolo[4,5-c]pyridine-5(4H)-sulfonamide
CID 57434472
5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 58157197
5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 58863298
2-cyclopentyl-1-(6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl)ethanone
CID 67465408

Frequently Asked Questions

What is the IUPAC name of 5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 123792674) is 5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CCCN1CCc2oncc2C1.
What is the InChIKey of 5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is QMCFGYJUJRGBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-4-11-5-3-9-8(7-11)6-10-12-9/h6H,2-5,7H2,1H3.
What are the key properties of 5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 166.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 123792674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).