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2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C23H22ClN3O4 — CID 154979227

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1ccc(OCc2nnc(C34CC(NC(=O)COc5ccc(Cl)cc5)(C3)C4)o2)cc1
InChIInChI=1S/C23H22ClN3O4/c1-15-2-6-17(7-3-15)30-11-20-26-27-21(31-20)22-12-23(13-22,14-22)25-19(28)10-29-18-8-4-16(24)5-9-18/h2-9H,10-14H2,1H3,(H,25,28)
InChIKeyOFSWXLILMAVHNT-UHFFFAOYSA-N
MW439.90 g/mol
LogP3.98
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 154979227) has the molecular formula C23H22ClN3O4 and a molecular weight of 439.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID154979227
Molecular FormulaC23H22ClN3O4
Molecular Weight439.90 g/mol
Exact Mass439.13
IUPAC Name2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1ccc(OCc2nnc(C34CC(NC(=O)COc5ccc(Cl)cc5)(C3)C4)o2)cc1
InChIInChI=1S/C23H22ClN3O4/c1-15-2-6-17(7-3-15)30-11-20-26-27-21(31-20)22-12-23(13-22,14-22)25-19(28)10-29-18-8-4-16(24)5-9-18/h2-9H,10-14H2,1H3,(H,25,28)
InChIKeyOFSWXLILMAVHNT-UHFFFAOYSA-N
XLogP3.98
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 154979227) is 2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1ccc(OCc2nnc(C34CC(NC(=O)COc5ccc(Cl)cc5)(C3)C4)o2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is OFSWXLILMAVHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4/c1-15-2-6-17(7-3-15)30-11-20-26-27-21(31-20)22-12-23(13-22,14-22)25-19(28)10-29-18-8-4-16(24)5-9-18/h2-9H,10-14H2,1H3,(H,25,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 439.90 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 154979227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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