methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate

C20H18N4O5S — CID 55877581

About methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate

methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 55877581) has the molecular formula C20H18N4O5S and a molecular weight of 426.45 g/mol. Its IUPAC name is methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate
• PubChem CID: 55877581
• Molecular Formula: C20H18N4O5S
• Molecular Weight: 426.45 g/mol
• Exact Mass: 426.10
• IUPAC Name: methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate
• SMILES: COC(=O)c1ccsc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1
• InChI: InChI=1S/C20H18N4O5S/c1-27-20(26)13-6-10-30-18(13)23-16(25)12-4-7-24(8-5-12)19-14(11-21)22-17(29-19)15-3-2-9-28-15/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,23,25)
• InChIKey: NAHBYKSPQCFXPI-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 121.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.45
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate?

The IUPAC name of methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate (CID 55877581) is methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate.

What is the SMILES notation for methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate?

The canonical SMILES for methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1.

What is the InChIKey of methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate?

The InChIKey is NAHBYKSPQCFXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5S/c1-27-20(26)13-6-10-30-18(13)23-16(25)12-4-7-24(8-5-12)19-14(11-21)22-17(29-19)15-3-2-9-28-15/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,23,25).

What are the key properties of methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate?

methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 426.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55877581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).