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

C9H16N2O2S — CID 65419245

IUPAC3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol
SMILESCCc1nc(CSC(C)CCO)no1
InChIInChI=1S/C9H16N2O2S/c1-3-9-10-8(11-13-9)6-14-7(2)4-5-12/h7,12H,3-6H2,1-2H3
InChIKeyKCVWFQXYXRUTIR-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.64
Rot. Bonds6

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

3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol (PubChem CID 65419245) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol
PubChem CID65419245
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol
SMILESCCc1nc(CSC(C)CCO)no1
InChIInChI=1S/C9H16N2O2S/c1-3-9-10-8(11-13-9)6-14-7(2)4-5-12/h7,12H,3-6H2,1-2H3
InChIKeyKCVWFQXYXRUTIR-UHFFFAOYSA-N
XLogP1.64
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butanoate
CID 96550507
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65141559
3-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]butan-1-amine
CID 66229523
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65141561
4-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65141558
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 65141155
6-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65137052
3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-1-ol
CID 65417069
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 65140997
(2S)-2-amino-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic acid
CID 107773128
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanol
CID 43502586
2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine
CID 66218376

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol?
The IUPAC name of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol (CID 65419245) is 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol?
The canonical SMILES for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol is CCc1nc(CSC(C)CCO)no1.
What is the InChIKey of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol?
The InChIKey is KCVWFQXYXRUTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-9-10-8(11-13-9)6-14-7(2)4-5-12/h7,12H,3-6H2,1-2H3.
What are the key properties of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol?
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol has a molecular weight of 216.31 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-1-ol is sourced from PubChem (CID 65419245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).