N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C18H20N4O3S — CID 121023288

IUPACN-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCC(c2csc3ccccc23)N(C)C)no1
InChIInChI=1S/C18H20N4O3S/c1-11-8-16(21-25-11)20-18(24)17(23)19-9-14(22(2)3)13-10-26-15-7-5-4-6-12(13)15/h4-8,10,14H,9H2,1-3H3,(H,19,23)(H,20,21,24)
InChIKeyIOEPUKYAZLRAPI-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.56
Rot. Bonds5

About N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 121023288) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID121023288
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCC(c2csc3ccccc23)N(C)C)no1
InChIInChI=1S/C18H20N4O3S/c1-11-8-16(21-25-11)20-18(24)17(23)19-9-14(22(2)3)13-10-26-15-7-5-4-6-12(13)15/h4-8,10,14H,9H2,1-3H3,(H,19,23)(H,20,21,24)
InChIKeyIOEPUKYAZLRAPI-UHFFFAOYSA-N
XLogP2.56
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]oxamide
CID 119106059
1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101864
N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide
CID 121023264
N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 131703199
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide
CID 121179642
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-chloro-4-methylphenyl)oxamide
CID 100726740
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 29343422
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 100725505
N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 41454681
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 121023288) is N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)NCC(c2csc3ccccc23)N(C)C)no1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is IOEPUKYAZLRAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11-8-16(21-25-11)20-18(24)17(23)19-9-14(22(2)3)13-10-26-15-7-5-4-6-12(13)15/h4-8,10,14H,9H2,1-3H3,(H,19,23)(H,20,21,24).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 372.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 121023288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).