2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C16H19N5OS — CID 95293704

IUPAC2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1cc(C)n(C2CN([C@H](C)c3nnc(-c4cccs4)o3)C2)n1
InChIInChI=1S/C16H19N5OS/c1-10-7-11(2)21(19-10)13-8-20(9-13)12(3)15-17-18-16(22-15)14-5-4-6-23-14/h4-7,12-13H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyRCOIXIYGZKFOAP-GFCCVEGCSA-N
MW329.43 g/mol
LogP3.23
Rot. Bonds4

About 2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 95293704) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID95293704
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1cc(C)n(C2CN([C@H](C)c3nnc(-c4cccs4)o3)C2)n1
InChIInChI=1S/C16H19N5OS/c1-10-7-11(2)21(19-10)13-8-20(9-13)12(3)15-17-18-16(22-15)14-5-4-6-23-14/h4-7,12-13H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyRCOIXIYGZKFOAP-GFCCVEGCSA-N
XLogP3.23
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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3,5-dimethyl-1-[1-(2-thiophen-2-ylethyl)azetidin-3-yl]pyrazole
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(2S)-1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 95293704) is 2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1cc(C)n(C2CN([C@H](C)c3nnc(-c4cccs4)o3)C2)n1.
What is the InChIKey of 2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is RCOIXIYGZKFOAP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-10-7-11(2)21(19-10)13-8-20(9-13)12(3)15-17-18-16(22-15)14-5-4-6-23-14/h4-7,12-13H,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 329.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 95293704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).