3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole

C9H14N2OS — CID 130693534

IUPAC3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole
SMILESCCCc1noc(C2CCSC2)n1
InChIInChI=1S/C9H14N2OS/c1-2-3-8-10-9(12-11-8)7-4-5-13-6-7/h7H,2-6H2,1H3
InChIKeyGSLUSICGRYMCPG-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.24
Rot. Bonds3

About 3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole

3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole (PubChem CID 130693534) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole
PubChem CID130693534
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole
SMILESCCCc1noc(C2CCSC2)n1
InChIInChI=1S/C9H14N2OS/c1-2-3-8-10-9(12-11-8)7-4-5-13-6-7/h7H,2-6H2,1H3
InChIKeyGSLUSICGRYMCPG-UHFFFAOYSA-N
XLogP2.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-prop-2-enyl-5-(thiolan-3-yl)-1,2,4-oxadiazole
CID 130660248
3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115077211
3-iodo-5-(thiolan-3-yl)-1,2,4-oxadiazole
CID 112572491
N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 113435593
N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83201061
bis(5-(1-methylpiperidin-1-ium-4-yl)-3-propyl-1,2,4-oxadiazole);oxalate
CID 23047521
2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
CID 63344281
2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115082019
N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082088
(4-methylthiadiazol-5-yl)-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51984862
4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 66240879
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162

Frequently Asked Questions

What is the IUPAC name of 3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole (CID 130693534) is 3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole is CCCc1noc(C2CCSC2)n1.
What is the InChIKey of 3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is GSLUSICGRYMCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-3-8-10-9(12-11-8)7-4-5-13-6-7/h7H,2-6H2,1H3.
What are the key properties of 3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole?
3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 198.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 130693534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).