N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide

C22H22ClN3O4 — CID 55758061

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide
SMILESO=C(COCCOc1ccccc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1
InChIInChI=1S/C22H22ClN3O4/c23-17-8-6-16(7-9-17)22-25-24-20(30-22)14-26(18-10-11-18)21(27)15-28-12-13-29-19-4-2-1-3-5-19/h1-9,18H,10-15H2
InChIKeyYWENEAIXFYRPDF-UHFFFAOYSA-N
MW427.89 g/mol
LogP3.98
Rot. Bonds10

About N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide (PubChem CID 55758061) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide
PubChem CID55758061
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide
SMILESO=C(COCCOc1ccccc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1
InChIInChI=1S/C22H22ClN3O4/c23-17-8-6-16(7-9-17)22-25-24-20(30-22)14-26(18-10-11-18)21(27)15-28-12-13-29-19-4-2-1-3-5-19/h1-9,18H,10-15H2
InChIKeyYWENEAIXFYRPDF-UHFFFAOYSA-N
XLogP3.98
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide (CID 55758061) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide is O=C(COCCOc1ccccc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide?
The InChIKey is YWENEAIXFYRPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c23-17-8-6-16(7-9-17)22-25-24-20(30-22)14-26(18-10-11-18)21(27)15-28-12-13-29-19-4-2-1-3-5-19/h1-9,18H,10-15H2.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide has a molecular weight of 427.89 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 55758061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).