1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

C14H15N7O2S — CID 24804752

IUPAC1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(c2nc(-c3cccs3)no2)CC1)c1nn[nH]n1
InChIInChI=1S/C14H15N7O2S/c22-10(12-16-19-20-17-12)8-21-5-3-9(4-6-21)14-15-13(18-23-14)11-2-1-7-24-11/h1-2,7,9H,3-6,8H2,(H,16,17,19,20)
InChIKeyCYTURWBVRKXBAV-UHFFFAOYSA-N
MW345.39 g/mol
LogP1.37
Rot. Bonds5

About 1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 24804752) has the molecular formula C14H15N7O2S and a molecular weight of 345.39 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID24804752
Molecular FormulaC14H15N7O2S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC Name1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(c2nc(-c3cccs3)no2)CC1)c1nn[nH]n1
InChIInChI=1S/C14H15N7O2S/c22-10(12-16-19-20-17-12)8-21-5-3-9(4-6-21)14-15-13(18-23-14)11-2-1-7-24-11/h1-2,7,9H,3-6,8H2,(H,16,17,19,20)
InChIKeyCYTURWBVRKXBAV-UHFFFAOYSA-N
XLogP1.37
TPSA113.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(2-amino-1,3-thiazol-4-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24804749
1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24804269
2-thiophen-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 1453694
dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium
CID 143603365
2-(2-methylphenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952293
2-(2-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952084
5-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 92574708
5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 92574707
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 67251435
1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 52952191
4,4,4-trifluoro-1-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 52952732
5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 46956703

Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 24804752) is 1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is O=C(CN1CCC(c2nc(-c3cccs3)no2)CC1)c1nn[nH]n1.
What is the InChIKey of 1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is CYTURWBVRKXBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S/c22-10(12-16-19-20-17-12)8-21-5-3-9(4-6-21)14-15-13(18-23-14)11-2-1-7-24-11/h1-2,7,9H,3-6,8H2,(H,16,17,19,20).
What are the key properties of 1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 345.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 24804752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).