7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine

C7H10N2O — CID 89138981

IUPAC7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine
SMILESCC1CNCc2cnoc21
InChIInChI=1S/C7H10N2O/c1-5-2-8-3-6-4-9-10-7(5)6/h4-5,8H,2-3H2,1H3
InChIKeyJBTNGDXQQVZEKF-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.88
Rot. Bonds

About 7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine

7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 89138981) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine
PubChem CID89138981
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine
SMILESCC1CNCc2cnoc21
InChIInChI=1S/C7H10N2O/c1-5-2-8-3-6-4-9-10-7(5)6/h4-5,8H,2-3H2,1H3
InChIKeyJBTNGDXQQVZEKF-UHFFFAOYSA-N
XLogP0.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine (CID 89138981) is 7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine is CC1CNCc2cnoc21.
What is the InChIKey of 7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is JBTNGDXQQVZEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-2-8-3-6-4-9-10-7(5)6/h4-5,8H,2-3H2,1H3.
What are the key properties of 7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine?
7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 138.17 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 89138981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).