3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H19ClN4O2S — CID 55881159

About 3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55881159) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• PubChem CID: 55881159
• Molecular Formula: C17H19ClN4O2S
• Molecular Weight: 378.89 g/mol
• Exact Mass: 378.09
• IUPAC Name: 3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• SMILES: CCN(CC)c1ccc(NC(=O)C2CC(c3ccc(Cl)s3)=NO2)cn1
• InChI: InChI=1S/C17H19ClN4O2S/c1-3-22(4-2)16-8-5-11(10-19-16)20-17(23)13-9-12(21-24-13)14-6-7-15(18)25-14/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,23)
• InChIKey: FNMBHCCYUKYSFX-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 66.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.89
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55881159) is 3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CCN(CC)c1ccc(NC(=O)C2CC(c3ccc(Cl)s3)=NO2)cn1.

What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The InChIKey is FNMBHCCYUKYSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c1-3-22(4-2)16-8-5-11(10-19-16)20-17(23)13-9-12(21-24-13)14-6-7-15(18)25-14/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,23).

What are the key properties of 3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 378.89 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55881159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).