2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone

C12H15N5O2 — CID 155961517

IUPAC2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
SMILESCc1noc(C2CN(C(=O)Cc3cnc(C)[nH]3)C2)n1
InChIInChI=1S/C12H15N5O2/c1-7-13-4-10(14-7)3-11(18)17-5-9(6-17)12-15-8(2)16-19-12/h4,9H,3,5-6H2,1-2H3,(H,13,14)
InChIKeyVCFMEBWVQHJJIZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.58
Rot. Bonds3

About 2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone

2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone (PubChem CID 155961517) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
PubChem CID155961517
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
SMILESCc1noc(C2CN(C(=O)Cc3cnc(C)[nH]3)C2)n1
InChIInChI=1S/C12H15N5O2/c1-7-13-4-10(14-7)3-11(18)17-5-9(6-17)12-15-8(2)16-19-12/h4,9H,3,5-6H2,1-2H3,(H,13,14)
InChIKeyVCFMEBWVQHJJIZ-UHFFFAOYSA-N
XLogP0.58
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone (CID 155961517) is 2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone is Cc1noc(C2CN(C(=O)Cc3cnc(C)[nH]3)C2)n1.
What is the InChIKey of 2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The InChIKey is VCFMEBWVQHJJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-13-4-10(14-7)3-11(18)17-5-9(6-17)12-15-8(2)16-19-12/h4,9H,3,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone has a molecular weight of 261.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 155961517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).