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

C7H11ClN2O — CID 75485646

IUPAC3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride
SMILESCc1noc2c1CCNC2.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-5-6-2-3-8-4-7(6)10-9-5;/h8H,2-4H2,1H3;1H
InChIKeyVDKRIVQSKOIXKT-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.05
Rot. Bonds

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

3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride (PubChem CID 75485646) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride.

Molecular Properties

Compound Name3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride
PubChem CID75485646
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride
SMILESCc1noc2c1CCNC2.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-5-6-2-3-8-4-7(6)10-9-5;/h8H,2-4H2,1H3;1H
InChIKeyVDKRIVQSKOIXKT-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 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride?
The IUPAC name of 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride (CID 75485646) is 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride.
What is the SMILES notation for 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride?
The canonical SMILES for 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride is Cc1noc2c1CCNC2.Cl.
What is the InChIKey of 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride?
The InChIKey is VDKRIVQSKOIXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c1-5-6-2-3-8-4-7(6)10-9-5;/h8H,2-4H2,1H3;1H.
What are the key properties of 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride?
3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-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 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride is sourced from PubChem (CID 75485646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).