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

C22H29N3O4 — CID 155508389

IUPAC5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCCc1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4cc(C)on4)[C@H]4CC[C@]3(C2)O4)o1
InChIInChI=1S/C22H29N3O4/c1-3-4-15-5-6-16(27-15)11-25-12-18-17(20-7-8-22(18,13-25)28-20)10-23-21(26)19-9-14(2)29-24-19/h5-6,9,17-18,20H,3-4,7-8,10-13H2,1-2H3,(H,23,26)/t17-,18+,20+,22+/m0/s1
InChIKeyZOKXYSURYJVQRM-XHYAQGIWSA-N
MW399.49 g/mol
LogP2.94
Rot. Bonds7

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

5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 155508389) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID155508389
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCCc1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4cc(C)on4)[C@H]4CC[C@]3(C2)O4)o1
InChIInChI=1S/C22H29N3O4/c1-3-4-15-5-6-16(27-15)11-25-12-18-17(20-7-8-22(18,13-25)28-20)10-23-21(26)19-9-14(2)29-24-19/h5-6,9,17-18,20H,3-4,7-8,10-13H2,1-2H3,(H,23,26)/t17-,18+,20+,22+/m0/s1
InChIKeyZOKXYSURYJVQRM-XHYAQGIWSA-N
XLogP2.94
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-ethyl-N-[[(1S,5S,6R,7R)-3-[(5-ethylthiophen-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 155491427
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
5-ethyl-N-[[(1S,5S,6R,7R)-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 169416983
N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155494774
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
N-[[(1S,5S,6R,7R)-3-(4-aminopyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 135092398
N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide
CID 154820949
N-[[(1S,5S,6R,7R)-3-hept-5-enoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 171150651
N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide
CID 155915788
N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
CID 154817277
1-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide
CID 155509544
N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 155506065

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide (CID 155508389) is 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide is CCCc1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4cc(C)on4)[C@H]4CC[C@]3(C2)O4)o1.
What is the InChIKey of 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZOKXYSURYJVQRM-XHYAQGIWSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-3-4-15-5-6-16(27-15)11-25-12-18-17(20-7-8-22(18,13-25)28-20)10-23-21(26)19-9-14(2)29-24-19/h5-6,9,17-18,20H,3-4,7-8,10-13H2,1-2H3,(H,23,26)/t17-,18+,20+,22+/m0/s1.
What are the key properties of 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155508389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).