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

C10H11N3OS — CID 120837199

IUPAC5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESc1csc(Cc2noc([C@H]3CCN3)n2)c1
InChIInChI=1S/C10H11N3OS/c1-2-7(15-5-1)6-9-12-10(14-13-9)8-3-4-11-8/h1-2,5,8,11H,3-4,6H2/t8-/m1/s1
InChIKeyOWVRQPFEGOSTDY-MRVPVSSYSA-N
MW221.28 g/mol
LogP1.76
Rot. Bonds3

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

5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 120837199) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID120837199
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESc1csc(Cc2noc([C@H]3CCN3)n2)c1
InChIInChI=1S/C10H11N3OS/c1-2-7(15-5-1)6-9-12-10(14-13-9)8-3-4-11-8/h1-2,5,8,11H,3-4,6H2/t8-/m1/s1
InChIKeyOWVRQPFEGOSTDY-MRVPVSSYSA-N
XLogP1.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502676
4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 55201047
2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 55200857
3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474381
5-[(2S,3R)-2-propan-2-yloxolan-3-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 124851427
5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 124851426
5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502682
5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 131042802
1-benzyl-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 138020800
3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55087040
2,2-dimethyl-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 64837098
(3aR,6aR)-4-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one;hydrochloride
CID 154922223

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (CID 120837199) is 5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is c1csc(Cc2noc([C@H]3CCN3)n2)c1.
What is the InChIKey of 5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is OWVRQPFEGOSTDY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-2-7(15-5-1)6-9-12-10(14-13-9)8-3-4-11-8/h1-2,5,8,11H,3-4,6H2/t8-/m1/s1.
What are the key properties of 5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 221.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120837199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).