3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

C12H18N2O — CID 175183508

IUPAC3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
SMILESCC(C)C1CNCc2c1noc2C1CC1
InChIInChI=1S/C12H18N2O/c1-7(2)9-5-13-6-10-11(9)14-15-12(10)8-3-4-8/h7-9,13H,3-6H2,1-2H3
InChIKeyWXJUSEOLIYVZLB-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.39
Rot. Bonds2

About 3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 175183508) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
PubChem CID175183508
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
SMILESCC(C)C1CNCc2c1noc2C1CC1
InChIInChI=1S/C12H18N2O/c1-7(2)9-5-13-6-10-11(9)14-15-12(10)8-3-4-8/h7-9,13H,3-6H2,1-2H3
InChIKeyWXJUSEOLIYVZLB-UHFFFAOYSA-N
XLogP2.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The IUPAC name of 3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (CID 175183508) is 3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.
What is the SMILES notation for 3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The canonical SMILES for 3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is CC(C)C1CNCc2c1noc2C1CC1.
What is the InChIKey of 3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The InChIKey is WXJUSEOLIYVZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-7(2)9-5-13-6-10-11(9)14-15-12(10)8-3-4-8/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 206.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 175183508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).