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

C16H22N4O3S — CID 50976253

IUPACN'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide
SMILESCc1cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C)s2)no1
InChIInChI=1S/C16H22N4O3S/c1-11-9-14(18-23-11)17-15(21)16(22)20(8-7-19(3)4)10-13-6-5-12(2)24-13/h5-6,9H,7-8,10H2,1-4H3,(H,17,18,21)
InChIKeyBVHMFKZLYLOHET-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.88
Rot. Bonds6

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

N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide (PubChem CID 50976253) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide
PubChem CID50976253
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide
SMILESCc1cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C)s2)no1
InChIInChI=1S/C16H22N4O3S/c1-11-9-14(18-23-11)17-15(21)16(22)20(8-7-19(3)4)10-13-6-5-12(2)24-13/h5-6,9H,7-8,10H2,1-4H3,(H,17,18,21)
InChIKeyBVHMFKZLYLOHET-UHFFFAOYSA-N
XLogP1.88
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47263973
N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 47263951
4-chloro-N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770323
N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42770329
2-[dimethylcarbamoyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814446
N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]decanamide
CID 42664092
N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide
CID 50982102
N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide
CID 46993888
5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide
CID 72889827
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N-[2-(dimethylamino)ethyl]-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 42770327
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101746

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide (CID 50976253) is N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide is Cc1cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C)s2)no1.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide?
The InChIKey is BVHMFKZLYLOHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-11-9-14(18-23-11)17-15(21)16(22)20(8-7-19(3)4)10-13-6-5-12(2)24-13/h5-6,9H,7-8,10H2,1-4H3,(H,17,18,21).
What are the key properties of N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide?
N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide has a molecular weight of 350.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide is sourced from PubChem (CID 50976253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).