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

C14H15ClFN3O3 — CID 46943266

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C14H15ClFN3O3/c1-8(2)5-13-18-19-14(22-13)17-12(20)7-21-11-4-3-9(16)6-10(11)15/h3-4,6,8H,5,7H2,1-2H3,(H,17,19,20)
InChIKeyXCZDPJYJNFRMEW-UHFFFAOYSA-N
MW327.74 g/mol
LogP3.08
Rot. Bonds6

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

2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 46943266) has the molecular formula C14H15ClFN3O3 and a molecular weight of 327.74 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID46943266
Molecular FormulaC14H15ClFN3O3
Molecular Weight327.74 g/mol
Exact Mass327.08
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C14H15ClFN3O3/c1-8(2)5-13-18-19-14(22-13)17-12(20)7-21-11-4-3-9(16)6-10(11)15/h3-4,6,8H,5,7H2,1-2H3,(H,17,19,20)
InChIKeyXCZDPJYJNFRMEW-UHFFFAOYSA-N
XLogP3.08
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.74
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 46943266) is 2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide is CC(C)Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is XCZDPJYJNFRMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O3/c1-8(2)5-13-18-19-14(22-13)17-12(20)7-21-11-4-3-9(16)6-10(11)15/h3-4,6,8H,5,7H2,1-2H3,(H,17,19,20).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 327.74 g/mol, XLogP of 3.08, 6 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-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 46943266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).