2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride

C7H11ClN2O — CID 74889760

IUPAC2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride
SMILESCc1nc2c(o1)CCNC2.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-5-9-6-4-8-3-2-7(6)10-5;/h8H,2-4H2,1H3;1H
InChIKeySQLHPVHVGOGENV-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.05
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride

2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride (PubChem CID 74889760) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride
PubChem CID74889760
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride
SMILESCc1nc2c(o1)CCNC2.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-5-9-6-4-8-3-2-7(6)10-5;/h8H,2-4H2,1H3;1H
InChIKeySQLHPVHVGOGENV-UHFFFAOYSA-N
XLogP1.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride (CID 74889760) is 2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride is Cc1nc2c(o1)CCNC2.Cl.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride?
The InChIKey is SQLHPVHVGOGENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c1-5-9-6-4-8-3-2-7(6)10-5;/h8H,2-4H2,1H3;1H.
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride?
2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;hydrochloride is sourced from PubChem (CID 74889760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).