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

C10H18N2O2S — CID 66103555

IUPAC2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol
SMILESCC(CO)CSCc1nc(C(C)C)no1
InChIInChI=1S/C10H18N2O2S/c1-7(2)10-11-9(14-12-10)6-15-5-8(3)4-13/h7-8,13H,4-6H2,1-3H3
InChIKeyFBEJUFTZRKJOQD-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.05
Rot. Bonds6

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

2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol (PubChem CID 66103555) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol
PubChem CID66103555
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol
SMILESCC(CO)CSCc1nc(C(C)C)no1
InChIInChI=1S/C10H18N2O2S/c1-7(2)10-11-9(14-12-10)6-15-5-8(3)4-13/h7-8,13H,4-6H2,1-3H3
InChIKeyFBEJUFTZRKJOQD-UHFFFAOYSA-N
XLogP2.05
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol (CID 66103555) is 2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol is CC(CO)CSCc1nc(C(C)C)no1.
What is the InChIKey of 2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol?
The InChIKey is FBEJUFTZRKJOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7(2)10-11-9(14-12-10)6-15-5-8(3)4-13/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol?
2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol has a molecular weight of 230.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 66103555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).