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

C7H12N2O2S — CID 116995970

IUPAC2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol
SMILESCCC(CO)c1nnc(SC)o1
InChIInChI=1S/C7H12N2O2S/c1-3-5(4-10)6-8-9-7(11-6)12-2/h5,10H,3-4H2,1-2H3
InChIKeyJCOXFFKPAQNOPZ-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.28
Rot. Bonds4

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

2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol (PubChem CID 116995970) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol
PubChem CID116995970
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol
SMILESCCC(CO)c1nnc(SC)o1
InChIInChI=1S/C7H12N2O2S/c1-3-5(4-10)6-8-9-7(11-6)12-2/h5,10H,3-4H2,1-2H3
InChIKeyJCOXFFKPAQNOPZ-UHFFFAOYSA-N
XLogP1.28
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium
CID 4917220
2-(diiodomethyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 59896307
(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
CID 52995250
[(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium
CID 7514072
2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 43148603
2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole
CID 43513337
2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole
CID 170383410
3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 89112864
[(1R)-2-(1H-indol-3-yl)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 7924294
2-(2-chloroethyl)-5-heptan-3-yl-1,3,4-oxadiazole
CID 43513193
2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 142363845
N-(3-methylbutan-2-yl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 42932674

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol?
The IUPAC name of 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol (CID 116995970) is 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol.
What is the SMILES notation for 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol?
The canonical SMILES for 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol is CCC(CO)c1nnc(SC)o1.
What is the InChIKey of 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol?
The InChIKey is JCOXFFKPAQNOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-3-5(4-10)6-8-9-7(11-6)12-2/h5,10H,3-4H2,1-2H3.
What are the key properties of 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol?
2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol has a molecular weight of 188.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol is sourced from PubChem (CID 116995970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).