2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

C18H15Cl2N3O3 — CID 43973126

IUPAC2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(Cc2nnc(NC(=O)COc3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C18H15Cl2N3O3/c1-11-2-4-12(5-3-11)8-17-22-23-18(26-17)21-16(24)10-25-15-7-6-13(19)9-14(15)20/h2-7,9H,8,10H2,1H3,(H,21,23,24)
InChIKeyNFYOZYTUORPKJR-UHFFFAOYSA-N
MW392.24 g/mol
LogP4.29
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43973126) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43973126
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(Cc2nnc(NC(=O)COc3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C18H15Cl2N3O3/c1-11-2-4-12(5-3-11)8-17-22-23-18(26-17)21-16(24)10-25-15-7-6-13(19)9-14(15)20/h2-7,9H,8,10H2,1H3,(H,21,23,24)
InChIKeyNFYOZYTUORPKJR-UHFFFAOYSA-N
XLogP4.29
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43973126) is 2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccc(Cc2nnc(NC(=O)COc3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is NFYOZYTUORPKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c1-11-2-4-12(5-3-11)8-17-22-23-18(26-17)21-16(24)10-25-15-7-6-13(19)9-14(15)20/h2-7,9H,8,10H2,1H3,(H,21,23,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 392.24 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43973126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).