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

C23H22ClN3O4 — CID 16557651

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1
InChIInChI=1S/C23H22ClN3O4/c1-2-20(28)15-7-11-17(12-8-15)30-14-22(29)27(16-9-10-16)13-21-25-26-23(31-21)18-5-3-4-6-19(18)24/h3-8,11-12,16H,2,9-10,13-14H2,1H3
InChIKeyCSTJHKIYFZZDGB-UHFFFAOYSA-N
MW439.90 g/mol
LogP4.55
Rot. Bonds9

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide (PubChem CID 16557651) has the molecular formula C23H22ClN3O4 and a molecular weight of 439.90 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide
PubChem CID16557651
Molecular FormulaC23H22ClN3O4
Molecular Weight439.90 g/mol
Exact Mass439.13
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1
InChIInChI=1S/C23H22ClN3O4/c1-2-20(28)15-7-11-17(12-8-15)30-14-22(29)27(16-9-10-16)13-21-25-26-23(31-21)18-5-3-4-6-19(18)24/h3-8,11-12,16H,2,9-10,13-14H2,1H3
InChIKeyCSTJHKIYFZZDGB-UHFFFAOYSA-N
XLogP4.55
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide (CID 16557651) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide?
The InChIKey is CSTJHKIYFZZDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4/c1-2-20(28)15-7-11-17(12-8-15)30-14-22(29)27(16-9-10-16)13-21-25-26-23(31-21)18-5-3-4-6-19(18)24/h3-8,11-12,16H,2,9-10,13-14H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide has a molecular weight of 439.90 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 16557651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).