1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine

C12H22N2OS — CID 66228803

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine
SMILESCC(C)(N)CSCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C12H22N2OS/c1-11(2,3)9-6-14-10(15-9)7-16-8-12(4,5)13/h6H,7-8,13H2,1-5H3
InChIKeyJCSJRJHRVXWRRF-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.94
Rot. Bonds4

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine

1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine (PubChem CID 66228803) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine
PubChem CID66228803
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine
SMILESCC(C)(N)CSCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C12H22N2OS/c1-11(2,3)9-6-14-10(15-9)7-16-8-12(4,5)13/h6H,7-8,13H2,1-5H3
InChIKeyJCSJRJHRVXWRRF-UHFFFAOYSA-N
XLogP2.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine (CID 66228803) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine is CC(C)(N)CSCc1ncc(C(C)(C)C)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine?
The InChIKey is JCSJRJHRVXWRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-11(2,3)9-6-14-10(15-9)7-16-8-12(4,5)13/h6H,7-8,13H2,1-5H3.
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66228803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).