5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole

C10H17NOS — CID 127007398

IUPAC5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole
SMILESCSC(C)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C10H17NOS/c1-7(13-5)9-11-6-8(12-9)10(2,3)4/h6-7H,1-5H3
InChIKeyNDTWZKUJQXLAOP-UHFFFAOYSA-N
MW199.32 g/mol
LogP3.40
Rot. Bonds2

About 5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole

5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole (PubChem CID 127007398) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole
PubChem CID127007398
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole
SMILESCSC(C)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C10H17NOS/c1-7(13-5)9-11-6-8(12-9)10(2,3)4/h6-7H,1-5H3
InChIKeyNDTWZKUJQXLAOP-UHFFFAOYSA-N
XLogP3.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole (CID 127007398) is 5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole is CSC(C)c1ncc(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole?
The InChIKey is NDTWZKUJQXLAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7(13-5)9-11-6-8(12-9)10(2,3)4/h6-7H,1-5H3.
What are the key properties of 5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole?
5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole has a molecular weight of 199.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(1-methylsulfanylethyl)-1,3-oxazole is sourced from PubChem (CID 127007398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).