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

C9H13N3O — CID 131042802

IUPAC5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
SMILESC1C[C@H](c2nc(CC3CC3)no2)N1
InChIInChI=1S/C9H13N3O/c1-2-6(1)5-8-11-9(13-12-8)7-3-4-10-7/h6-7,10H,1-5H2/t7-/m1/s1
InChIKeyLOJBJGKWJPPNHT-SSDOTTSWSA-N
MW179.22 g/mol
LogP1.06
Rot. Bonds3

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

5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole (PubChem CID 131042802) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
PubChem CID131042802
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
SMILESC1C[C@H](c2nc(CC3CC3)no2)N1
InChIInChI=1S/C9H13N3O/c1-2-6(1)5-8-11-9(13-12-8)7-3-4-10-7/h6-7,10H,1-5H2/t7-/m1/s1
InChIKeyLOJBJGKWJPPNHT-SSDOTTSWSA-N
XLogP1.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832637
3-(cyclopropylmethyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781083
(3S,5R)-5-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104971482
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 112754183
5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 131020606
5-[(2S)-piperidin-2-yl]-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56722200
5-pyrrolidin-2-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 115080912
3-[(1-ethylpyrrolidin-3-yl)methyl]-5-piperidin-2-yl-1,2,4-oxadiazole
CID 115080779
5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 120837199
5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 128744637
3-(oxolan-2-ylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832525

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole (CID 131042802) is 5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole is C1C[C@H](c2nc(CC3CC3)no2)N1.
What is the InChIKey of 5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
The InChIKey is LOJBJGKWJPPNHT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-6(1)5-8-11-9(13-12-8)7-3-4-10-7/h6-7,10H,1-5H2/t7-/m1/s1.
What are the key properties of 5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole has a molecular weight of 179.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 131042802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).