5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide

C20H26N4O3 — CID 155495134

About 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide

5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide (PubChem CID 155495134) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide
• PubChem CID: 155495134
• Molecular Formula: C20H26N4O3
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.20
• IUPAC Name: 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide
• SMILES: Cc1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4nc[nH]c4C)[C@H]4CC[C@]3(C2)O4)o1
• InChI: InChI=1S/C20H26N4O3/c1-12-3-4-14(26-12)8-24-9-16-15(17-5-6-20(16,10-24)27-17)7-21-19(25)18-13(2)22-11-23-18/h3-4,11,15-17H,5-10H2,1-2H3,(H,21,25)(H,22,23)/t15-,16+,17+,20+/m0/s1
• InChIKey: YCLZEHFVOGBKGC-TVKQPGBESA-N
• XLogP: 2.03
• TPSA: 83.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide?

The IUPAC name of 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide (CID 155495134) is 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide.

What is the SMILES notation for 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide?

The canonical SMILES for 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide is Cc1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4nc[nH]c4C)[C@H]4CC[C@]3(C2)O4)o1.

What is the InChIKey of 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide?

The InChIKey is YCLZEHFVOGBKGC-TVKQPGBESA-N. The full InChI is InChI=1S/C20H26N4O3/c1-12-3-4-14(26-12)8-24-9-16-15(17-5-6-20(16,10-24)27-17)7-21-19(25)18-13(2)22-11-23-18/h3-4,11,15-17H,5-10H2,1-2H3,(H,21,25)(H,22,23)/t15-,16+,17+,20+/m0/s1.

What are the key properties of 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide?

5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 155495134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).