2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide

C18H25N3O3 — CID 8888706

IUPAC2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C18H25N3O3/c1-17(2,3)11-18(4,5)20-15(22)10-23-14-8-6-13(7-9-14)16-21-19-12-24-16/h6-9,12H,10-11H2,1-5H3,(H,20,22)
InChIKeyYMHFAKHZJXQPMP-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.45
Rot. Bonds6

About 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 8888706) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID8888706
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C18H25N3O3/c1-17(2,3)11-18(4,5)20-15(22)10-23-14-8-6-13(7-9-14)16-21-19-12-24-16/h6-9,12H,10-11H2,1-5H3,(H,20,22)
InChIKeyYMHFAKHZJXQPMP-UHFFFAOYSA-N
XLogP3.45
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42974356
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
N-(4-acetylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556222
N-[4-(dimethylamino)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36565038
N-(3,4-diethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556124
N-(1-ethylpiperidin-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 37324633
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 87001099
N-(3,5-difluorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42368891
N-(2,3-dimethylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7908220
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42368813
2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole
CID 71944586

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 8888706) is 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide is CC(C)(C)CC(C)(C)NC(=O)COc1ccc(-c2nnco2)cc1.
What is the InChIKey of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is YMHFAKHZJXQPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-17(2,3)11-18(4,5)20-15(22)10-23-14-8-6-13(7-9-14)16-21-19-12-24-16/h6-9,12H,10-11H2,1-5H3,(H,20,22).
What are the key properties of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 8888706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).