N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide

C20H29N3O3 — CID 154821843

IUPACN-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESC/C=C/CN1C[C@@H]2[C@H](CNC(=O)c3cc(CCC)on3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H29N3O3/c1-3-5-9-23-12-16-15(18-7-8-20(16,13-23)25-18)11-21-19(24)17-10-14(6-4-2)26-22-17/h3,5,10,15-16,18H,4,6-9,11-13H2,1-2H3,(H,21,24)/b5-3+/t15-,16+,18+,20+/m0/s1
InChIKeyQUBACKVBSNJQQU-QGGWNXCUSA-N
MW359.47 g/mol
LogP2.41
Rot. Bonds7

About N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide

N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 154821843) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID154821843
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESC/C=C/CN1C[C@@H]2[C@H](CNC(=O)c3cc(CCC)on3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H29N3O3/c1-3-5-9-23-12-16-15(18-7-8-20(16,13-23)25-18)11-21-19(24)17-10-14(6-4-2)26-22-17/h3,5,10,15-16,18H,4,6-9,11-13H2,1-2H3,(H,21,24)/b5-3+/t15-,16+,18+,20+/m0/s1
InChIKeyQUBACKVBSNJQQU-QGGWNXCUSA-N
XLogP2.41
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide (CID 154821843) is N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide is C/C=C/CN1C[C@@H]2[C@H](CNC(=O)c3cc(CCC)on3)[C@H]3CC[C@]2(C1)O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is QUBACKVBSNJQQU-QGGWNXCUSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-5-9-23-12-16-15(18-7-8-20(16,13-23)25-18)11-21-19(24)17-10-14(6-4-2)26-22-17/h3,5,10,15-16,18H,4,6-9,11-13H2,1-2H3,(H,21,24)/b5-3+/t15-,16+,18+,20+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide?
N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154821843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).