5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole

C12H19N3O2 — CID 80690666

IUPAC5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(CC3CNC3)n2)CCCCO1
InChIInChI=1S/C12H19N3O2/c1-12(4-2-3-5-16-12)11-14-10(17-15-11)6-9-7-13-8-9/h9,13H,2-8H2,1H3
InChIKeyINALNEOZCYOBOJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.25
Rot. Bonds3

About 5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole

5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole (PubChem CID 80690666) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
PubChem CID80690666
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(CC3CNC3)n2)CCCCO1
InChIInChI=1S/C12H19N3O2/c1-12(4-2-3-5-16-12)11-14-10(17-15-11)6-9-7-13-8-9/h9,13H,2-8H2,1H3
InChIKeyINALNEOZCYOBOJ-UHFFFAOYSA-N
XLogP1.25
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 80691095
5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 131065158
1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 80681737
5-(1,4-diazepan-1-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 80690233
methyl 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 80690674
1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 80683706
1,1,1-trifluoro-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 80681115
5-(azetidin-3-ylmethyl)-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
CID 116742954
4-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80681042
N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483538
4-[2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 115340405
5-(azetidin-3-ylmethyl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742421

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole (CID 80690666) is 5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole is CC1(c2noc(CC3CNC3)n2)CCCCO1.
What is the InChIKey of 5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole?
The InChIKey is INALNEOZCYOBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(4-2-3-5-16-12)11-14-10(17-15-11)6-9-7-13-8-9/h9,13H,2-8H2,1H3.
What are the key properties of 5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole?
5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole has a molecular weight of 237.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 80690666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).