2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole

C14H19N5O3S — CID 99963998

IUPAC2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCCS(=O)(=O)N1CCC[C@H](c2nnc(-c3cncnc3C)o2)C1
InChIInChI=1S/C14H19N5O3S/c1-3-23(20,21)19-6-4-5-11(8-19)13-17-18-14(22-13)12-7-15-9-16-10(12)2/h7,9,11H,3-6,8H2,1-2H3/t11-/m0/s1
InChIKeyQFINTZUDZXKUAS-NSHDSACASA-N
MW337.41 g/mol
LogP1.36
Rot. Bonds4

About 2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole

2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole (PubChem CID 99963998) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
PubChem CID99963998
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCCS(=O)(=O)N1CCC[C@H](c2nnc(-c3cncnc3C)o2)C1
InChIInChI=1S/C14H19N5O3S/c1-3-23(20,21)19-6-4-5-11(8-19)13-17-18-14(22-13)12-7-15-9-16-10(12)2/h7,9,11H,3-6,8H2,1-2H3/t11-/m0/s1
InChIKeyQFINTZUDZXKUAS-NSHDSACASA-N
XLogP1.36
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99964034
[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99964038
2-(4-fluorophenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 121069600
2-[(3R)-1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 99963715
2-[(3R)-1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 99963520
2-[(3R)-1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99963961
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 121069650
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 121069594
2-[(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 99963554
1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 132650199
2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92590169
2-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 132672869

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole (CID 99963998) is 2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole is CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3cncnc3C)o2)C1.
What is the InChIKey of 2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The InChIKey is QFINTZUDZXKUAS-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-3-23(20,21)19-6-4-5-11(8-19)13-17-18-14(22-13)12-7-15-9-16-10(12)2/h7,9,11H,3-6,8H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole has a molecular weight of 337.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 99963998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).