2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole

C9H13NOS — CID 131203577

IUPAC2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole
SMILESCc1coc(SCC2CCC2)n1
InChIInChI=1S/C9H13NOS/c1-7-5-11-9(10-7)12-6-8-3-2-4-8/h5,8H,2-4,6H2,1H3
InChIKeyVOIDIWUYPLAYCA-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.88
Rot. Bonds3

About 2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole

2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole (PubChem CID 131203577) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole
PubChem CID131203577
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole
SMILESCc1coc(SCC2CCC2)n1
InChIInChI=1S/C9H13NOS/c1-7-5-11-9(10-7)12-6-8-3-2-4-8/h5,8H,2-4,6H2,1H3
InChIKeyVOIDIWUYPLAYCA-UHFFFAOYSA-N
XLogP2.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole (CID 131203577) is 2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole is Cc1coc(SCC2CCC2)n1.
What is the InChIKey of 2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole?
The InChIKey is VOIDIWUYPLAYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7-5-11-9(10-7)12-6-8-3-2-4-8/h5,8H,2-4,6H2,1H3.
What are the key properties of 2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole?
2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole has a molecular weight of 183.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 131203577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).