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

C10H18N2O2S — CID 66113411

IUPAC3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol
SMILESCC(C)(C)c1noc(CSCCCO)n1
InChIInChI=1S/C10H18N2O2S/c1-10(2,3)9-11-8(14-12-9)7-15-6-4-5-13/h13H,4-7H2,1-3H3
InChIKeyGSKZEBLCGJWPIC-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.98
Rot. Bonds5

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

3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol (PubChem CID 66113411) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol
PubChem CID66113411
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol
SMILESCC(C)(C)c1noc(CSCCCO)n1
InChIInChI=1S/C10H18N2O2S/c1-10(2,3)9-11-8(14-12-9)7-15-6-4-5-13/h13H,4-7H2,1-3H3
InChIKeyGSKZEBLCGJWPIC-UHFFFAOYSA-N
XLogP1.98
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol
CID 66114960
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-2-methylpropan-1-amine
CID 66225179
2-amino-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butanoic acid
CID 54933433
3-tert-butyl-5-[[(2R)-2-methyl-3-methylsulfonylpropyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 97320417
3-tert-butyl-5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 47154950
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 46736960
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butanoic acid
CID 66137827
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 39048977
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-1-amine
CID 66230933
3-tert-butyl-5-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
CID 75442527
3-tert-butyl-5-[(4-methoxyphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 134003527
2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol
CID 66103555

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol (CID 66113411) is 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol is CC(C)(C)c1noc(CSCCCO)n1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol?
The InChIKey is GSKZEBLCGJWPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-10(2,3)9-11-8(14-12-9)7-15-6-4-5-13/h13H,4-7H2,1-3H3.
What are the key properties of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol?
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol has a molecular weight of 230.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 66113411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).