2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole

C14H17N3OS — CID 71778033

IUPAC2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(SCC3CCCCN3)o2)cc1
InChIInChI=1S/C14H17N3OS/c1-2-6-11(7-3-1)13-16-17-14(18-13)19-10-12-8-4-5-9-15-12/h1-3,6-7,12,15H,4-5,8-10H2
InChIKeyWKWAXMQQPSYLBI-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.97
Rot. Bonds4

About 2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole

2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole (PubChem CID 71778033) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
PubChem CID71778033
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(SCC3CCCCN3)o2)cc1
InChIInChI=1S/C14H17N3OS/c1-2-6-11(7-3-1)13-16-17-14(18-13)19-10-12-8-4-5-9-15-12/h1-3,6-7,12,15H,4-5,8-10H2
InChIKeyWKWAXMQQPSYLBI-UHFFFAOYSA-N
XLogP2.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5-[[(3S)-piperidin-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 97301374
2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 112780507
N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline
CID 7546309
2-phenyl-5-[[2,4,6-trimethyl-3,5-bis[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 139079587
(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one
CID 7861362
2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride
CID 71639820
N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 16537065
4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole
CID 106924606
2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 54590696
2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 166005373
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 47096897

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole (CID 71778033) is 2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole is c1ccc(-c2nnc(SCC3CCCCN3)o2)cc1.
What is the InChIKey of 2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
The InChIKey is WKWAXMQQPSYLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-6-11(7-3-1)13-16-17-14(18-13)19-10-12-8-4-5-9-15-12/h1-3,6-7,12,15H,4-5,8-10H2.
What are the key properties of 2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole?
2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole has a molecular weight of 275.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71778033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).