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

C14H15Cl2N3O3 — CID 46943241

IUPAC2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H15Cl2N3O3/c1-8(2)5-13-18-19-14(22-13)17-12(20)7-21-11-4-3-9(15)6-10(11)16/h3-4,6,8H,5,7H2,1-2H3,(H,17,19,20)
InChIKeyMSGRUUZPEBNOPE-UHFFFAOYSA-N
MW344.20 g/mol
LogP3.59
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 46943241) has the molecular formula C14H15Cl2N3O3 and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID46943241
Molecular FormulaC14H15Cl2N3O3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H15Cl2N3O3/c1-8(2)5-13-18-19-14(22-13)17-12(20)7-21-11-4-3-9(15)6-10(11)16/h3-4,6,8H,5,7H2,1-2H3,(H,17,19,20)
InChIKeyMSGRUUZPEBNOPE-UHFFFAOYSA-N
XLogP3.59
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(2-ethyl-2H-tetrazol-5-yl)propanamide
CID 656072
2-(2,4-dichlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)propanamide
CID 2953553
2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4594660
2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3158232
2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 46943243
2-(2,4-dichlorophenoxy)-N-(5-(tetrahydrofuran-2-yl)-1,3,4-oxadiazol-2-yl)acetamide
CID 44030080
2-(2,4-dichlorophenoxy)-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52416508
2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2886229
2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 46943242
2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 46943244
2-(2,4-dichlorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 46943245
2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 46943264

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 46943241) is 2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide is CC(C)Cc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is MSGRUUZPEBNOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3/c1-8(2)5-13-18-19-14(22-13)17-12(20)7-21-11-4-3-9(15)6-10(11)16/h3-4,6,8H,5,7H2,1-2H3,(H,17,19,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 344.20 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 46943241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).