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

C17H17N3OS — CID 94219095

IUPAC5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC[C@H](c1ccccc1)N1CC(c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C17H17N3OS/c1-12(13-6-3-2-4-7-13)20-10-14(11-20)17-18-16(19-21-17)15-8-5-9-22-15/h2-9,12,14H,10-11H2,1H3/t12-/m1/s1
InChIKeyXWOMNKOTZUTOSR-GFCCVEGCSA-N
MW311.41 g/mol
LogP3.96
Rot. Bonds4

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

5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 94219095) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID94219095
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC[C@H](c1ccccc1)N1CC(c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C17H17N3OS/c1-12(13-6-3-2-4-7-13)20-10-14(11-20)17-18-16(19-21-17)15-8-5-9-22-15/h2-9,12,14H,10-11H2,1H3/t12-/m1/s1
InChIKeyXWOMNKOTZUTOSR-GFCCVEGCSA-N
XLogP3.96
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 120760924
(2S,6S)-2,6-dimethyl-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 98950692
5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 52951031
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
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120835592
5-(2-methylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 106743244
1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 60837559
5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51113619
trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane
CID 14089790
2-(2-methylphenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952293
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 94219090

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 94219095) is 5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is C[C@H](c1ccccc1)N1CC(c2nc(-c3cccs3)no2)C1.
What is the InChIKey of 5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is XWOMNKOTZUTOSR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12(13-6-3-2-4-7-13)20-10-14(11-20)17-18-16(19-21-17)15-8-5-9-22-15/h2-9,12,14H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of 5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 311.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 94219095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).