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

C14H18N4O3S — CID 18589135

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCC(c2cccs2)N(C)C)no1
InChIInChI=1S/C14H18N4O3S/c1-9-7-12(17-21-9)16-14(20)13(19)15-8-10(18(2)3)11-5-4-6-22-11/h4-7,10H,8H2,1-3H3,(H,15,19)(H,16,17,20)
InChIKeyVJVZWAONBRKSDT-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.40
Rot. Bonds5

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

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 18589135) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID18589135
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCC(c2cccs2)N(C)C)no1
InChIInChI=1S/C14H18N4O3S/c1-9-7-12(17-21-9)16-14(20)13(19)15-8-10(18(2)3)11-5-4-6-22-11/h4-7,10H,8H2,1-3H3,(H,15,19)(H,16,17,20)
InChIKeyVJVZWAONBRKSDT-UHFFFAOYSA-N
XLogP1.40
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.40
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'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 18589135) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)NCC(c2cccs2)N(C)C)no1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is VJVZWAONBRKSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9-7-12(17-21-9)16-14(20)13(19)15-8-10(18(2)3)11-5-4-6-22-11/h4-7,10H,8H2,1-3H3,(H,15,19)(H,16,17,20).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 322.39 g/mol, XLogP of 1.40, 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'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 18589135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).