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

C20H18ClN3O3 — CID 16557597

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C20H18ClN3O3/c21-17-9-5-4-8-16(17)20-23-22-18(27-20)12-24(14-10-11-14)19(25)13-26-15-6-2-1-3-7-15/h1-9,14H,10-13H2
InChIKeyOKTVFXXWKHQLCG-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.96
Rot. Bonds7

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenoxyacetamide (PubChem CID 16557597) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenoxyacetamide
PubChem CID16557597
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C20H18ClN3O3/c21-17-9-5-4-8-16(17)20-23-22-18(27-20)12-24(14-10-11-14)19(25)13-26-15-6-2-1-3-7-15/h1-9,14H,10-13H2
InChIKeyOKTVFXXWKHQLCG-UHFFFAOYSA-N
XLogP3.96
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-phenoxyacetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenoxyacetamide (CID 16557597) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenoxyacetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenoxyacetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenoxyacetamide is O=C(COc1ccccc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenoxyacetamide?
The InChIKey is OKTVFXXWKHQLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-17-9-5-4-8-16(17)20-23-22-18(27-20)12-24(14-10-11-14)19(25)13-26-15-6-2-1-3-7-15/h1-9,14H,10-13H2.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenoxyacetamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenoxyacetamide has a molecular weight of 383.84 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 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-phenoxyacetamide is sourced from PubChem (CID 16557597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).