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

C16H18N4O3 — CID 42974356

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H18N4O3/c1-11(2)16(3,9-17)19-14(21)8-22-13-6-4-12(5-7-13)15-20-18-10-23-15/h4-7,10-11H,8H2,1-3H3,(H,19,21)
InChIKeyZUINULNXXGFLJT-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.17
Rot. Bonds6

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

N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 42974356) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID42974356
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H18N4O3/c1-11(2)16(3,9-17)19-14(21)8-22-13-6-4-12(5-7-13)15-20-18-10-23-15/h4-7,10-11H,8H2,1-3H3,(H,19,21)
InChIKeyZUINULNXXGFLJT-UHFFFAOYSA-N
XLogP2.17
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide with MolForge

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Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966668
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8888706
4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
CID 7931335
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026918
2-[4-(aminomethyl)phenoxy]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 106484798
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 4828464
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8604749
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140979
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2086613

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 42974356) is N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is CC(C)C(C)(C#N)NC(=O)COc1ccc(-c2nnco2)cc1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is ZUINULNXXGFLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11(2)16(3,9-17)19-14(21)8-22-13-6-4-12(5-7-13)15-20-18-10-23-15/h4-7,10-11H,8H2,1-3H3,(H,19,21).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 314.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 42974356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).