3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol

C11H18N2O2S — CID 111463884

IUPAC3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSC(C)c1nc(C2CC2)no1
InChIInChI=1S/C11H18N2O2S/c1-7(5-14)6-16-8(2)11-12-10(13-15-11)9-3-4-9/h7-9,14H,3-6H2,1-2H3
InChIKeyAVPROQJAKUKWQR-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.37
Rot. Bonds6

About 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol

3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol (PubChem CID 111463884) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol
PubChem CID111463884
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSC(C)c1nc(C2CC2)no1
InChIInChI=1S/C11H18N2O2S/c1-7(5-14)6-16-8(2)11-12-10(13-15-11)9-3-4-9/h7-9,14H,3-6H2,1-2H3
InChIKeyAVPROQJAKUKWQR-UHFFFAOYSA-N
XLogP2.37
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
CID 87018138
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
[5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
CID 97099045
3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole
CID 87018157
2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol
CID 97084016
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730
2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561054
(2R)-2-amino-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethanol
CID 92689985
(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915877
(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915781
4-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345426

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol (CID 111463884) is 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol is CC(CO)CSC(C)c1nc(C2CC2)no1.
What is the InChIKey of 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol?
The InChIKey is AVPROQJAKUKWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(5-14)6-16-8(2)11-12-10(13-15-11)9-3-4-9/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol?
3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol has a molecular weight of 242.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 111463884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).