N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide

C18H19N3O2S — CID 56787946

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCN(C)C(CNC(=O)c1ncoc1-c1ccccc1)c1ccsc1
InChIInChI=1S/C18H19N3O2S/c1-21(2)15(14-8-9-24-11-14)10-19-18(22)16-17(23-12-20-16)13-6-4-3-5-7-13/h3-9,11-12,15H,10H2,1-2H3,(H,19,22)
InChIKeySQZZEHJQJAJQNZ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.44
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 56787946) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID56787946
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCN(C)C(CNC(=O)c1ncoc1-c1ccccc1)c1ccsc1
InChIInChI=1S/C18H19N3O2S/c1-21(2)15(14-8-9-24-11-14)10-19-18(22)16-17(23-12-20-16)13-6-4-3-5-7-13/h3-9,11-12,15H,10H2,1-2H3,(H,19,22)
InChIKeySQZZEHJQJAJQNZ-UHFFFAOYSA-N
XLogP3.44
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 56787946) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide is CN(C)C(CNC(=O)c1ncoc1-c1ccccc1)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is SQZZEHJQJAJQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-21(2)15(14-8-9-24-11-14)10-19-18(22)16-17(23-12-20-16)13-6-4-3-5-7-13/h3-9,11-12,15H,10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56787946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).