5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole

C12H14N2OS — CID 78860958

IUPAC5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole
SMILESCc1cc(CSCCc2ccccn2)no1
InChIInChI=1S/C12H14N2OS/c1-10-8-12(14-15-10)9-16-7-5-11-4-2-3-6-13-11/h2-4,6,8H,5,7,9H2,1H3
InChIKeyMEFYGBQUAIKGDY-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.85
Rot. Bonds5

About 5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole

5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole (PubChem CID 78860958) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole
PubChem CID78860958
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole
SMILESCc1cc(CSCCc2ccccn2)no1
InChIInChI=1S/C12H14N2OS/c1-10-8-12(14-15-10)9-16-7-5-11-4-2-3-6-13-11/h2-4,6,8H,5,7,9H2,1H3
InChIKeyMEFYGBQUAIKGDY-UHFFFAOYSA-N
XLogP2.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole
CID 78860934
2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine
CID 71346411
2-[2-(2,2-dimethylpropylsulfanyl)ethyl]pyridine
CID 58756663
2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine
CID 2172820
2-[2-[(3-fluorophenyl)methylsulfanyl]ethyl]pyridine
CID 78860419
2-(2-methylsulfanylethylsulfanylmethyl)pyridine
CID 175223046
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
5-methyl-3-[(4-methylphenyl)methylsulfanylmethyl]-1,2-oxazole
CID 78848421
2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine
CID 66225834
5-methyl-3-[(3-methylphenyl)methylsulfanylmethyl]-1,2-oxazole
CID 78848426
2-(2-hexylsulfanylethyl)pyridine
CID 95562090
2-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethyl]pyridine
CID 78860421

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole (CID 78860958) is 5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole is Cc1cc(CSCCc2ccccn2)no1.
What is the InChIKey of 5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole?
The InChIKey is MEFYGBQUAIKGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-10-8-12(14-15-10)9-16-7-5-11-4-2-3-6-13-11/h2-4,6,8H,5,7,9H2,1H3.
What are the key properties of 5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole?
5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole has a molecular weight of 234.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 78860958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).