5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole

C15H25NO2S — CID 97031140

IUPAC5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole
SMILESC[C@@H](SCC1CCOCC1)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C15H25NO2S/c1-11(19-10-12-5-7-17-8-6-12)14-16-9-13(18-14)15(2,3)4/h9,11-12H,5-8,10H2,1-4H3/t11-/m1/s1
InChIKeyOFAMXICMLZLOSD-LLVKDONJSA-N
MW283.44 g/mol
LogP4.19
Rot. Bonds4

About 5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole

5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole (PubChem CID 97031140) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole
PubChem CID97031140
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole
SMILESC[C@@H](SCC1CCOCC1)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C15H25NO2S/c1-11(19-10-12-5-7-17-8-6-12)14-16-9-13(18-14)15(2,3)4/h9,11-12H,5-8,10H2,1-4H3/t11-/m1/s1
InChIKeyOFAMXICMLZLOSD-LLVKDONJSA-N
XLogP4.19
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole (CID 97031140) is 5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole is C[C@@H](SCC1CCOCC1)c1ncc(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole?
The InChIKey is OFAMXICMLZLOSD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-11(19-10-12-5-7-17-8-6-12)14-16-9-13(18-14)15(2,3)4/h9,11-12H,5-8,10H2,1-4H3/t11-/m1/s1.
What are the key properties of 5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole?
5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole has a molecular weight of 283.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(1R)-1-(oxan-4-ylmethylsulfanyl)ethyl]-1,3-oxazole is sourced from PubChem (CID 97031140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).