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

C9H15N3O — CID 131020606

IUPAC5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1noc([C@H]2CCN2)n1
InChIInChI=1S/C9H15N3O/c1-6(2)5-8-11-9(13-12-8)7-3-4-10-7/h6-7,10H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyGYDMABTUQHTDMG-SSDOTTSWSA-N
MW181.24 g/mol
LogP1.30
Rot. Bonds3

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

5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole (PubChem CID 131020606) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
PubChem CID131020606
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1noc([C@H]2CCN2)n1
InChIInChI=1S/C9H15N3O/c1-6(2)5-8-11-9(13-12-8)7-3-4-10-7/h6-7,10H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyGYDMABTUQHTDMG-SSDOTTSWSA-N
XLogP1.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912140
1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 130991357
1-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 130964669
5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 131042802
3-(2-methylpropyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 130747832
3-(3-methylbutyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914882
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 164646005
3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743345
5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 120837199
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552004
2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979771

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole (CID 131020606) is 5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole is CC(C)Cc1noc([C@H]2CCN2)n1.
What is the InChIKey of 5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The InChIKey is GYDMABTUQHTDMG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)5-8-11-9(13-12-8)7-3-4-10-7/h6-7,10H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of 5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 1.30, 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-(2-methylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 131020606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).