3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine

C10H16N2O — CID 84647073

IUPAC3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
SMILESCC(C)Cc1noc2c1CCNC2
InChIInChI=1S/C10H16N2O/c1-7(2)5-9-8-3-4-11-6-10(8)13-12-9/h7,11H,3-6H2,1-2H3
InChIKeyPTZIKVFIORLCHO-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.52
Rot. Bonds2

About 3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine

3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine (PubChem CID 84647073) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
PubChem CID84647073
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
SMILESCC(C)Cc1noc2c1CCNC2
InChIInChI=1S/C10H16N2O/c1-7(2)5-9-8-3-4-11-6-10(8)13-12-9/h7,11H,3-6H2,1-2H3
InChIKeyPTZIKVFIORLCHO-UHFFFAOYSA-N
XLogP1.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The IUPAC name of 3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine (CID 84647073) is 3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The canonical SMILES for 3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine is CC(C)Cc1noc2c1CCNC2.
What is the InChIKey of 3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The InChIKey is PTZIKVFIORLCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)5-9-8-3-4-11-6-10(8)13-12-9/h7,11H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine has a molecular weight of 180.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 84647073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).