2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

C12H17N5O3 — CID 118762237

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCc1nonc1CC(=O)NC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C12H17N5O3/c1-6(2)11-14-15-12(19-11)8(4)13-10(18)5-9-7(3)16-20-17-9/h6,8H,5H2,1-4H3,(H,13,18)
InChIKeyTXJLGQBVEXXYAV-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.30
Rot. Bonds5

About 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (PubChem CID 118762237) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
PubChem CID118762237
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCc1nonc1CC(=O)NC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C12H17N5O3/c1-6(2)11-14-15-12(19-11)8(4)13-10(18)5-9-7(3)16-20-17-9/h6,8H,5H2,1-4H3,(H,13,18)
InChIKeyTXJLGQBVEXXYAV-UHFFFAOYSA-N
XLogP1.30
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 90647818
2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 125177731
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 126438591
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 125171302
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 91781696
2-(ethylamino)-4-methyl-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 118762665
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 136661941
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 118766836
4-fluoro-N-[3-oxo-3-[[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide
CID 126445835
4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide
CID 126445834
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 125165614
2-[methyl(pyridin-2-ylmethyl)amino]-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 125155321

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (CID 118762237) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is Cc1nonc1CC(=O)NC(C)c1nnc(C(C)C)o1.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The InChIKey is TXJLGQBVEXXYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-6(2)11-14-15-12(19-11)8(4)13-10(18)5-9-7(3)16-20-17-9/h6,8H,5H2,1-4H3,(H,13,18).
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide has a molecular weight of 279.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 118762237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).