5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

C8H12N2OS — CID 83871848

IUPAC5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESCSc1onc2c1CN(C)CC2
InChIInChI=1S/C8H12N2OS/c1-10-4-3-7-6(5-10)8(12-2)11-9-7/h3-5H2,1-2H3
InChIKeyISQQVVVQSXPJBV-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.38
Rot. Bonds1

About 5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 83871848) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
PubChem CID83871848
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESCSc1onc2c1CN(C)CC2
InChIInChI=1S/C8H12N2OS/c1-10-4-3-7-6(5-10)8(12-2)11-9-7/h3-5H2,1-2H3
InChIKeyISQQVVVQSXPJBV-UHFFFAOYSA-N
XLogP1.38
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole
CID 83871887
3-methylsulfanyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[3,4-d]azepine
CID 83871826
2-methyl-1-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)propan-1-amine
CID 83848740
3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid
CID 83858771
5-methyl-2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
CID 138744768
5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde
CID 83863028
2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 82192182
2-ethyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 105439070
2-(2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)acetic acid
CID 83862715
9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine
CID 139838749
10-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-6-ol
CID 115008512
4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 23475978

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The IUPAC name of 5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (CID 83871848) is 5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.
What is the SMILES notation for 5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The canonical SMILES for 5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is CSc1onc2c1CN(C)CC2.
What is the InChIKey of 5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The InChIKey is ISQQVVVQSXPJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-10-4-3-7-6(5-10)8(12-2)11-9-7/h3-5H2,1-2H3.
What are the key properties of 5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 184.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 83871848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).