methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate

C18H19N3O5S — CID 38035072

About methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate (PubChem CID 38035072) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

• Compound Name: methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate
• PubChem CID: 38035072
• Molecular Formula: C18H19N3O5S
• Molecular Weight: 389.43 g/mol
• Exact Mass: 389.10
• IUPAC Name: methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate
• SMILES: COC(=O)c1cc(CN(C)C(=O)CCc2nnc(-c3ccsc3)o2)oc1C
• InChI: InChI=1S/C18H19N3O5S/c1-11-14(18(23)24-3)8-13(25-11)9-21(2)16(22)5-4-15-19-20-17(26-15)12-6-7-27-10-12/h6-8,10H,4-5,9H2,1-3H3
• InChIKey: YLTVBEYLLOPHID-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 98.67 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.43
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate?

The IUPAC name of methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate (CID 38035072) is methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate.

What is the SMILES notation for methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate?

The canonical SMILES for methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)CCc2nnc(-c3ccsc3)o2)oc1C.

What is the InChIKey of methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate?

The InChIKey is YLTVBEYLLOPHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-11-14(18(23)24-3)8-13(25-11)9-21(2)16(22)5-4-15-19-20-17(26-15)12-6-7-27-10-12/h6-8,10H,4-5,9H2,1-3H3.

What are the key properties of methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate?

methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 38035072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).