N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

C19H21N3O3S — CID 87001099

IUPACN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCC(C)(C)C(NC(=O)COc1ccc(-c2nnco2)cc1)c1cccs1
InChIInChI=1S/C19H21N3O3S/c1-19(2,3)17(15-5-4-10-26-15)21-16(23)11-24-14-8-6-13(7-9-14)18-22-20-12-25-18/h4-10,12,17H,11H2,1-3H3,(H,21,23)
InChIKeyCLVMPENVWBBEIG-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.08
Rot. Bonds6

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

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 87001099) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID87001099
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCC(C)(C)C(NC(=O)COc1ccc(-c2nnco2)cc1)c1cccs1
InChIInChI=1S/C19H21N3O3S/c1-19(2,3)17(15-5-4-10-26-15)21-16(23)11-24-14-8-6-13(7-9-14)18-22-20-12-25-18/h4-10,12,17H,11H2,1-3H3,(H,21,23)
InChIKeyCLVMPENVWBBEIG-UHFFFAOYSA-N
XLogP4.08
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide with MolForge

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Related Compounds

N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 94490347
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8888706
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42974356
[2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 94352559
N-(2,3-dimethylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7908220
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 18082174
N-(4-acetylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556222
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556213
N-(benzylcarbamoyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7555973
N-[4-(dimethylamino)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36565038

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 87001099) is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is CC(C)(C)C(NC(=O)COc1ccc(-c2nnco2)cc1)c1cccs1.
What is the InChIKey of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is CLVMPENVWBBEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-19(2,3)17(15-5-4-10-26-15)21-16(23)11-24-14-8-6-13(7-9-14)18-22-20-12-25-18/h4-10,12,17H,11H2,1-3H3,(H,21,23).
What are the key properties of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 371.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 87001099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).