5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole

C14H17N3OS — CID 79205715

IUPAC5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCSc1ccc(-c2nc(C3CCCNC3)no2)cc1
InChIInChI=1S/C14H17N3OS/c1-19-12-6-4-10(5-7-12)14-16-13(17-18-14)11-3-2-8-15-9-11/h4-7,11,15H,2-3,8-9H2,1H3
InChIKeySJIMPUOUOKMKSA-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.93
Rot. Bonds3

About 5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole

5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 79205715) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID79205715
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCSc1ccc(-c2nc(C3CCCNC3)no2)cc1
InChIInChI=1S/C14H17N3OS/c1-19-12-6-4-10(5-7-12)14-16-13(17-18-14)11-3-2-8-15-9-11/h4-7,11,15H,2-3,8-9H2,1H3
InChIKeySJIMPUOUOKMKSA-UHFFFAOYSA-N
XLogP2.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137002863
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920
5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024578
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121
5-(3-methyl-4-nitrophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 104637697
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838
1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one
CID 167832242
3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 84681088
6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 114040481

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole (CID 79205715) is 5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole is CSc1ccc(-c2nc(C3CCCNC3)no2)cc1.
What is the InChIKey of 5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is SJIMPUOUOKMKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-19-12-6-4-10(5-7-12)14-16-13(17-18-14)11-3-2-8-15-9-11/h4-7,11,15H,2-3,8-9H2,1H3.
What are the key properties of 5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 275.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 79205715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).