5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride

C14H25Cl2N3O — CID 154906908

IUPAC5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride
SMILESCCC1=NOC(CN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)C1.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-2-9-5-10(18-16-9)8-17-13-3-4-14(17)12-7-15-6-11(12)13;;/h10-15H,2-8H2,1H3;2*1H/t10?,11-,12+,13-,14+;;
InChIKeyDPFONJOYYRZDFJ-PYFZIRPNSA-N
MW322.28 g/mol
LogP2.07
Rot. Bonds3

About 5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride

5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride (PubChem CID 154906908) has the molecular formula C14H25Cl2N3O and a molecular weight of 322.28 g/mol. Its IUPAC name is 5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride.

Molecular Properties

Compound Name5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride
PubChem CID154906908
Molecular FormulaC14H25Cl2N3O
Molecular Weight322.28 g/mol
Exact Mass321.14
IUPAC Name5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride
SMILESCCC1=NOC(CN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)C1.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-2-9-5-10(18-16-9)8-17-13-3-4-14(17)12-7-15-6-11(12)13;;/h10-15H,2-8H2,1H3;2*1H/t10?,11-,12+,13-,14+;;
InChIKeyDPFONJOYYRZDFJ-PYFZIRPNSA-N
XLogP2.07
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride?
The IUPAC name of 5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride (CID 154906908) is 5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride.
What is the SMILES notation for 5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride?
The canonical SMILES for 5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride is CCC1=NOC(CN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)C1.Cl.Cl.
What is the InChIKey of 5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride?
The InChIKey is DPFONJOYYRZDFJ-PYFZIRPNSA-N. The full InChI is InChI=1S/C14H23N3O.2ClH/c1-2-9-5-10(18-16-9)8-17-13-3-4-14(17)12-7-15-6-11(12)13;;/h10-15H,2-8H2,1H3;2*1H/t10?,11-,12+,13-,14+;;.
What are the key properties of 5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride?
5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride has a molecular weight of 322.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride is sourced from PubChem (CID 154906908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).