2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide

C18H23ClFN3O3 — CID 46943264

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1)CC(C)(C)C
InChIInChI=1S/C18H23ClFN3O3/c1-11(9-18(2,3)4)7-16-22-23-17(26-16)21-15(24)10-25-14-6-5-12(20)8-13(14)19/h5-6,8,11H,7,9-10H2,1-4H3,(H,21,23,24)
InChIKeyRFWXOMAPNSYTBP-UHFFFAOYSA-N
MW383.85 g/mol
LogP4.49
Rot. Bonds7

About 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 46943264) has the molecular formula C18H23ClFN3O3 and a molecular weight of 383.85 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID46943264
Molecular FormulaC18H23ClFN3O3
Molecular Weight383.85 g/mol
Exact Mass383.14
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1)CC(C)(C)C
InChIInChI=1S/C18H23ClFN3O3/c1-11(9-18(2,3)4)7-16-22-23-17(26-16)21-15(24)10-25-14-6-5-12(20)8-13(14)19/h5-6,8,11H,7,9-10H2,1-4H3,(H,21,23,24)
InChIKeyRFWXOMAPNSYTBP-UHFFFAOYSA-N
XLogP4.49
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide with MolForge

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Related Compounds

N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-(2-fluorophenoxy)acetamide
CID 44038798
2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 46943243
2-(2,4-dichlorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 46943241
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-(2,4-dichlorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 46943265
2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 46943266
N-{5-[(p-tolyl)methyl]-1,3,4-oxadiazol-2-yl}(2,4-dichlorophenoxy)acetamide
CID 43973126
2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 166939341
2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 166940156
2-(4-chlorophenoxy)-N-(5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl)acetamide
CID 16917535

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 46943264) is 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide is CC(Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1)CC(C)(C)C.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is RFWXOMAPNSYTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN3O3/c1-11(9-18(2,3)4)7-16-22-23-17(26-16)21-15(24)10-25-14-6-5-12(20)8-13(14)19/h5-6,8,11H,7,9-10H2,1-4H3,(H,21,23,24).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 383.85 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 46943264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).