2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol

C9H15NO2S — CID 44574303

IUPAC2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol
SMILESCSc1nc(C(O)C(C)(C)C)co1
InChIInChI=1S/C9H15NO2S/c1-9(2,3)7(11)6-5-12-8(10-6)13-4/h5,7,11H,1-4H3
InChIKeyHCIYAZDUVKAKHX-UHFFFAOYSA-N
MW201.29 g/mol
LogP2.48
Rot. Bonds2

About 2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol

2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol (PubChem CID 44574303) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol
PubChem CID44574303
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol
SMILESCSc1nc(C(O)C(C)(C)C)co1
InChIInChI=1S/C9H15NO2S/c1-9(2,3)7(11)6-5-12-8(10-6)13-4/h5,7,11H,1-4H3
InChIKeyHCIYAZDUVKAKHX-UHFFFAOYSA-N
XLogP2.48
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol (CID 44574303) is 2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol is CSc1nc(C(O)C(C)(C)C)co1.
What is the InChIKey of 2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol?
The InChIKey is HCIYAZDUVKAKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-9(2,3)7(11)6-5-12-8(10-6)13-4/h5,7,11H,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol?
2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol has a molecular weight of 201.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol is sourced from PubChem (CID 44574303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).