2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

C17H19N5O3S — CID 50745874

IUPAC2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1noc(-c2ccccc2OCC(=O)Nc2nnc(CC(C)C)s2)n1
InChIInChI=1S/C17H19N5O3S/c1-10(2)8-15-20-21-17(26-15)19-14(23)9-24-13-7-5-4-6-12(13)16-18-11(3)22-25-16/h4-7,10H,8-9H2,1-3H3,(H,19,21,23)
InChIKeyYDXVCRYWPKBMEI-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.11
Rot. Bonds7

About 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 50745874) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID50745874
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1noc(-c2ccccc2OCC(=O)Nc2nnc(CC(C)C)s2)n1
InChIInChI=1S/C17H19N5O3S/c1-10(2)8-15-20-21-17(26-15)19-14(23)9-24-13-7-5-4-6-12(13)16-18-11(3)22-25-16/h4-7,10H,8-9H2,1-3H3,(H,19,21,23)
InChIKeyYDXVCRYWPKBMEI-UHFFFAOYSA-N
XLogP3.11
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 50745860
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16548028
N-(2,3-dimethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745798
2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 31902407
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16548053
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46971254
2-(2-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3388491
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8750173
2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 50746138
N-(3,5-dimethylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745916
N-(2,5-dimethylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745776
N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide
CID 1399795

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 50745874) is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is Cc1noc(-c2ccccc2OCC(=O)Nc2nnc(CC(C)C)s2)n1.
What is the InChIKey of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is YDXVCRYWPKBMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-10(2)8-15-20-21-17(26-15)19-14(23)9-24-13-7-5-4-6-12(13)16-18-11(3)22-25-16/h4-7,10H,8-9H2,1-3H3,(H,19,21,23).
What are the key properties of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 373.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 50745874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).