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

C9H15N3O — CID 84658083

IUPAC2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(C2CNC2)o1
InChIInChI=1S/C9H15N3O/c1-6(2)3-8-11-12-9(13-8)7-4-10-5-7/h6-7,10H,3-5H2,1-2H3
InChIKeyULSZYOHGIMGBTF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.95
Rot. Bonds3

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

2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole (PubChem CID 84658083) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole
PubChem CID84658083
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(C2CNC2)o1
InChIInChI=1S/C9H15N3O/c1-6(2)3-8-11-12-9(13-8)7-4-10-5-7/h6-7,10H,3-5H2,1-2H3
InChIKeyULSZYOHGIMGBTF-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Azetidin-3-yl)-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole
CID 166083948
N-methyl-2-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65716060
2-(Azetidin-3-yl)-5-methyl-1,3,4-oxadiazole
CID 55299581
2-Methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole
CID 58408462
2-(2-Methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole
CID 58408464
2-Isopropyl-5-(pyrrolidin-3-yl)-1,3,4-oxadiazole
CID 58408473
3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine
CID 58499152
2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
CID 62162545
2-(Azetidin-3-ylmethyl)-5-methyl-1,3,4-oxadiazole
CID 77231096
2-(Azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole
CID 84649788
2-(Azetidin-3-yl)-5-tert-butyl-1,3,4-oxadiazole
CID 84658084
2-Methyl-5-(3R)-3-pyrrolidinyl-1,3,4-oxadiazole
CID 95165260

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole (CID 84658083) is 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole is CC(C)Cc1nnc(C2CNC2)o1.
What is the InChIKey of 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
The InChIKey is ULSZYOHGIMGBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)3-8-11-12-9(13-8)7-4-10-5-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 84658083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).