1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide

C19H26N4O3 — CID 133137339

About 1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide

1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide (PubChem CID 133137339) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide
• PubChem CID: 133137339
• Molecular Formula: C19H26N4O3
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.20
• IUPAC Name: 1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide
• SMILES: Cc1ccc(CN2CC3(C2)OCCC3CCNC(=O)c2nccn2C)o1
• InChI: InChI=1S/C19H26N4O3/c1-14-3-4-16(26-14)11-23-12-19(13-23)15(6-10-25-19)5-7-21-18(24)17-20-8-9-22(17)2/h3-4,8-9,15H,5-7,10-13H2,1-2H3,(H,21,24)
• InChIKey: WRHARXRMAQEBKC-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 72.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide?

The IUPAC name of 1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide (CID 133137339) is 1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide.

What is the SMILES notation for 1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide?

The canonical SMILES for 1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide is Cc1ccc(CN2CC3(C2)OCCC3CCNC(=O)c2nccn2C)o1.

What is the InChIKey of 1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide?

The InChIKey is WRHARXRMAQEBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14-3-4-16(26-14)11-23-12-19(13-23)15(6-10-25-19)5-7-21-18(24)17-20-8-9-22(17)2/h3-4,8-9,15H,5-7,10-13H2,1-2H3,(H,21,24).

What are the key properties of 1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide?

1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide is sourced from PubChem (CID 133137339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).