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

C6H9ClN2O — CID 154857197

IUPAC4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride
SMILESCl.c1noc2c1CCNC2
InChIInChI=1S/C6H8N2O.ClH/c1-2-7-4-6-5(1)3-8-9-6;/h3,7H,1-2,4H2;1H
InChIKeyYRLNLNWWFSBQIN-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.74
Rot. Bonds

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

4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride (PubChem CID 154857197) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride
PubChem CID154857197
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride
SMILESCl.c1noc2c1CCNC2
InChIInChI=1S/C6H8N2O.ClH/c1-2-7-4-6-5(1)3-8-9-6;/h3,7H,1-2,4H2;1H
InChIKeyYRLNLNWWFSBQIN-UHFFFAOYSA-N
XLogP0.74
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine hydrochloride
CID 73553615
4,5,6,7-Tetrahydroisoxazolo[4,5-c]pyridine
CID 10486848
4,5,6,7-Tetrahydroisoxazolo[5,4-c]pyridine
CID 20581451
2-(5-Methyl-1,2-oxazol-4-yl)ethan-1-amine hydrochloride
CID 132354026
5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one
CID 54491729
4,5,6,7-Tetrahydroisoxazolo[5,4-c]pyridin-3-amine
CID 59325835
4,5,6,7-Tetrahydro-4-[(2-propenyloxy)amino]-isoxazolo[5,4-c]pyridine
CID 86601368
6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine
CID 89079762
7-Methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine
CID 89138981
6-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine
CID 89225224
6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine
CID 130260620
ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane
CID 142177745

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride (CID 154857197) is 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride is Cl.c1noc2c1CCNC2.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride?
The InChIKey is YRLNLNWWFSBQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.ClH/c1-2-7-4-6-5(1)3-8-9-6;/h3,7H,1-2,4H2;1H.
What are the key properties of 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride?
4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride has a molecular weight of 160.60 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine;hydrochloride is sourced from PubChem (CID 154857197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).