N-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

C18H17N3O3 — CID 2426711

IUPACN-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C18H17N3O3/c1-21(11-14-5-3-2-4-6-14)17(22)12-23-16-9-7-15(8-10-16)18-20-19-13-24-18/h2-10,13H,11-12H2,1H3
InChIKeyQHZSBEARJCINKH-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.77
Rot. Bonds6

About N-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

N-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 2426711) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID2426711
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C18H17N3O3/c1-21(11-14-5-3-2-4-6-14)17(22)12-23-16-9-7-15(8-10-16)18-20-19-13-24-18/h2-10,13H,11-12H2,1H3
InChIKeyQHZSBEARJCINKH-UHFFFAOYSA-N
XLogP2.77
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 2426711) is N-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is CN(Cc1ccccc1)C(=O)COc1ccc(-c2nnco2)cc1.
What is the InChIKey of N-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is QHZSBEARJCINKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21(11-14-5-3-2-4-6-14)17(22)12-23-16-9-7-15(8-10-16)18-20-19-13-24-18/h2-10,13H,11-12H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 2426711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).