N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide

C13H16N4O3S — CID 18589140

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESCN(C)C(CNC(=O)C(=O)Nc1ccon1)c1cccs1
InChIInChI=1S/C13H16N4O3S/c1-17(2)9(10-4-3-7-21-10)8-14-12(18)13(19)15-11-5-6-20-16-11/h3-7,9H,8H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyRJHCNVPPMDCXEV-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.09
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide (PubChem CID 18589140) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide
PubChem CID18589140
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESCN(C)C(CNC(=O)C(=O)Nc1ccon1)c1cccs1
InChIInChI=1S/C13H16N4O3S/c1-17(2)9(10-4-3-7-21-10)8-14-12(18)13(19)15-11-5-6-20-16-11/h3-7,9H,8H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyRJHCNVPPMDCXEV-UHFFFAOYSA-N
XLogP1.09
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide (CID 18589140) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide is CN(C)C(CNC(=O)C(=O)Nc1ccon1)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The InChIKey is RJHCNVPPMDCXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-17(2)9(10-4-3-7-21-10)8-14-12(18)13(19)15-11-5-6-20-16-11/h3-7,9H,8H2,1-2H3,(H,14,18)(H,15,16,19).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide has a molecular weight of 308.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 18589140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).