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

C17H26N4O4 — CID 154819486

IUPACN-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCOCCN1C[C@@H]2[C@H](CNC(=O)c3nonc3C)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C17H26N4O4/c1-3-23-7-6-21-9-13-12(14-4-5-17(13,10-21)24-14)8-18-16(22)15-11(2)19-25-20-15/h12-14H,3-10H2,1-2H3,(H,18,22)/t12-,13+,14+,17+/m0/s1
InChIKeyNBCVKKHZXHEGFD-ZOMKSWQUSA-N
MW350.42 g/mol
LogP0.62
Rot. Bonds7

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

N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 154819486) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID154819486
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC NameN-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCOCCN1C[C@@H]2[C@H](CNC(=O)c3nonc3C)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C17H26N4O4/c1-3-23-7-6-21-9-13-12(14-4-5-17(13,10-21)24-14)8-18-16(22)15-11(2)19-25-20-15/h12-14H,3-10H2,1-2H3,(H,18,22)/t12-,13+,14+,17+/m0/s1
InChIKeyNBCVKKHZXHEGFD-ZOMKSWQUSA-N
XLogP0.62
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 154819486) is N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is CCOCCN1C[C@@H]2[C@H](CNC(=O)c3nonc3C)[C@H]3CC[C@]2(C1)O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is NBCVKKHZXHEGFD-ZOMKSWQUSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-3-23-7-6-21-9-13-12(14-4-5-17(13,10-21)24-14)8-18-16(22)15-11(2)19-25-20-15/h12-14H,3-10H2,1-2H3,(H,18,22)/t12-,13+,14+,17+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 154819486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).