N-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide

C19H17Cl2N3O3 — CID 22577175

IUPACN-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide
SMILESCC(=O)N(CC1OC(c2ccc(Cl)cc2Cl)=NN1C(C)=O)c1ccccc1
InChIInChI=1S/C19H17Cl2N3O3/c1-12(25)23(15-6-4-3-5-7-15)11-18-24(13(2)26)22-19(27-18)16-9-8-14(20)10-17(16)21/h3-10,18H,11H2,1-2H3
InChIKeyQLOYFPYCGLIAHM-UHFFFAOYSA-N
MW406.27 g/mol
LogP3.91
Rot. Bonds4

About N-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide

N-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide (PubChem CID 22577175) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is N-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide
PubChem CID22577175
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC NameN-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide
SMILESCC(=O)N(CC1OC(c2ccc(Cl)cc2Cl)=NN1C(C)=O)c1ccccc1
InChIInChI=1S/C19H17Cl2N3O3/c1-12(25)23(15-6-4-3-5-7-15)11-18-24(13(2)26)22-19(27-18)16-9-8-14(20)10-17(16)21/h3-10,18H,11H2,1-2H3
InChIKeyQLOYFPYCGLIAHM-UHFFFAOYSA-N
XLogP3.91
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide?
The IUPAC name of N-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide (CID 22577175) is N-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide.
What is the SMILES notation for N-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide?
The canonical SMILES for N-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide is CC(=O)N(CC1OC(c2ccc(Cl)cc2Cl)=NN1C(C)=O)c1ccccc1.
What is the InChIKey of N-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide?
The InChIKey is QLOYFPYCGLIAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c1-12(25)23(15-6-4-3-5-7-15)11-18-24(13(2)26)22-19(27-18)16-9-8-14(20)10-17(16)21/h3-10,18H,11H2,1-2H3.
What are the key properties of N-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide?
N-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide has a molecular weight of 406.27 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-phenylacetamide is sourced from PubChem (CID 22577175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).