N-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide

C18H18N3O3+ — CID 53289832

IUPACN-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide
SMILESCN(Cc1c(=O)o[nH][n+]1-c1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C18H17N3O3/c1-20(17(22)12-14-8-4-2-5-9-14)13-16-18(23)24-19-21(16)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3/p+1
InChIKeyWMTFEJFHVIGINN-UHFFFAOYSA-O
MW324.36 g/mol
LogP1.45
Rot. Bonds5

About N-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide

N-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide (PubChem CID 53289832) has the molecular formula C18H18N3O3+ and a molecular weight of 324.36 g/mol. Its IUPAC name is N-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide
PubChem CID53289832
Molecular FormulaC18H18N3O3+
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide
SMILESCN(Cc1c(=O)o[nH][n+]1-c1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C18H17N3O3/c1-20(17(22)12-14-8-4-2-5-9-14)13-16-18(23)24-19-21(16)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3/p+1
InChIKeyWMTFEJFHVIGINN-UHFFFAOYSA-O
XLogP1.45
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
1-benzyl-3-ethyl-1-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]thiourea
CID 53289533
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-(diphenylphosphorylmethyl)-N-methyl-2-phenylacetamide
CID 10044246
N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide
CID 23368261
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-phenylacetamide
CID 19454252
N-benzyl-N-hydroxy-2-phenylacetamide
CID 10933642
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-methyl-N-[2-(methylamino)ethyl]-2-phenylacetamide
CID 23084464
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19452057
N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690806

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide (CID 53289832) is N-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide is CN(Cc1c(=O)o[nH][n+]1-c1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide?
The InChIKey is WMTFEJFHVIGINN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H17N3O3/c1-20(17(22)12-14-8-4-2-5-9-14)13-16-18(23)24-19-21(16)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3/p+1.
What are the key properties of N-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide?
N-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide has a molecular weight of 324.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 53289832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).