2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol

C9H16N2O2S — CID 106246164

IUPAC2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol
SMILESCSCC(C)(O)CNCc1cnco1
InChIInChI=1S/C9H16N2O2S/c1-9(12,6-14-2)5-10-3-8-4-11-7-13-8/h4,7,10,12H,3,5-6H2,1-2H3
InChIKeyXHJIYFCMZWBUPK-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.88
Rot. Bonds6

About 2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol

2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol (PubChem CID 106246164) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol
PubChem CID106246164
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol
SMILESCSCC(C)(O)CNCc1cnco1
InChIInChI=1S/C9H16N2O2S/c1-9(12,6-14-2)5-10-3-8-4-11-7-13-8/h4,7,10,12H,3,5-6H2,1-2H3
InChIKeyXHJIYFCMZWBUPK-UHFFFAOYSA-N
XLogP0.88
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol (CID 106246164) is 2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol is CSCC(C)(O)CNCc1cnco1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol?
The InChIKey is XHJIYFCMZWBUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-9(12,6-14-2)5-10-3-8-4-11-7-13-8/h4,7,10,12H,3,5-6H2,1-2H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol?
2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol has a molecular weight of 216.31 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol is sourced from PubChem (CID 106246164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).