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

C12H21N3O3 — CID 71932292

IUPACN-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
SMILESCc1noc(OCC(=O)NC(C)CCC(C)C)n1
InChIInChI=1S/C12H21N3O3/c1-8(2)5-6-9(3)13-11(16)7-17-12-14-10(4)15-18-12/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeyAZIRTRCUYHVFJQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.70
Rot. Bonds7

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

N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide (PubChem CID 71932292) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
PubChem CID71932292
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
SMILESCc1noc(OCC(=O)NC(C)CCC(C)C)n1
InChIInChI=1S/C12H21N3O3/c1-8(2)5-6-9(3)13-11(16)7-17-12-14-10(4)15-18-12/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeyAZIRTRCUYHVFJQ-UHFFFAOYSA-N
XLogP1.70
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
CID 56783299
1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one
CID 130671415
N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
CID 71932293
[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 16570747
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633
2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide
CID 56783313
N-[(2S)-5-methylhexan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7688955
2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 61036016
[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8847596
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
CID 56783332
2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 9018049

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide (CID 71932292) is N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide is Cc1noc(OCC(=O)NC(C)CCC(C)C)n1.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide?
The InChIKey is AZIRTRCUYHVFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(2)5-6-9(3)13-11(16)7-17-12-14-10(4)15-18-12/h8-9H,5-7H2,1-4H3,(H,13,16).
What are the key properties of N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide?
N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide has a molecular weight of 255.32 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide is sourced from PubChem (CID 71932292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).