2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol

C9H16N2O2S — CID 71995388

IUPAC2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol
SMILESCC(CO)SCc1nnc(C(C)C)o1
InChIInChI=1S/C9H16N2O2S/c1-6(2)9-11-10-8(13-9)5-14-7(3)4-12/h6-7,12H,4-5H2,1-3H3
InChIKeyVLBIBBDWKRIHAC-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.81
Rot. Bonds5

About 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol

2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol (PubChem CID 71995388) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol
PubChem CID71995388
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol
SMILESCC(CO)SCc1nnc(C(C)C)o1
InChIInChI=1S/C9H16N2O2S/c1-6(2)9-11-10-8(13-9)5-14-7(3)4-12/h6-7,12H,4-5H2,1-3H3
InChIKeyVLBIBBDWKRIHAC-UHFFFAOYSA-N
XLogP1.81
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol (CID 71995388) is 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol is CC(CO)SCc1nnc(C(C)C)o1.
What is the InChIKey of 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol?
The InChIKey is VLBIBBDWKRIHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-6(2)9-11-10-8(13-9)5-14-7(3)4-12/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol?
2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol has a molecular weight of 216.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 71995388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).