N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride

C18H30Cl2N4O2 — CID 171325858

IUPACN-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride
SMILESCc1cc(CC(=O)NC[C@H]2[C@@H]3CNC[C@@H](C3)[C@@H]3CCCCN32)on1.Cl.Cl
InChIInChI=1S/C18H28N4O2.2ClH/c1-12-6-15(24-21-12)8-18(23)20-11-17-14-7-13(9-19-10-14)16-4-2-3-5-22(16)17;;/h6,13-14,16-17,19H,2-5,7-11H2,1H3,(H,20,23);2*1H/t13-,14+,16+,17+;;/m1../s1
InChIKeyGNLWCMKXHUFRGJ-GMQBPZJWSA-N
MW405.37 g/mol
LogP1.95
Rot. Bonds4

About N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride

N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride (PubChem CID 171325858) has the molecular formula C18H30Cl2N4O2 and a molecular weight of 405.37 g/mol. Its IUPAC name is N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride
PubChem CID171325858
Molecular FormulaC18H30Cl2N4O2
Molecular Weight405.37 g/mol
Exact Mass404.17
IUPAC NameN-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride
SMILESCc1cc(CC(=O)NC[C@H]2[C@@H]3CNC[C@@H](C3)[C@@H]3CCCCN32)on1.Cl.Cl
InChIInChI=1S/C18H28N4O2.2ClH/c1-12-6-15(24-21-12)8-18(23)20-11-17-14-7-13(9-19-10-14)16-4-2-3-5-22(16)17;;/h6,13-14,16-17,19H,2-5,7-11H2,1H3,(H,20,23);2*1H/t13-,14+,16+,17+;;/m1../s1
InChIKeyGNLWCMKXHUFRGJ-GMQBPZJWSA-N
XLogP1.95
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride with MolForge

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Related Compounds

N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 171325293
N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide;dihydrochloride
CID 171325059
N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride
CID 171325376
3-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]propanamide;dihydrochloride
CID 171325100
N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide;dihydrochloride
CID 171325582
3-(3-chloro-1,2-oxazol-5-yl)-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]propanamide;hydrochloride
CID 171713458
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131893638
2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752
2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide;hydrochloride
CID 66651040
N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 96580597
N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide
CID 64569142
N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 118762980

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride?
The IUPAC name of N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride (CID 171325858) is N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride?
The canonical SMILES for N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride is Cc1cc(CC(=O)NC[C@H]2[C@@H]3CNC[C@@H](C3)[C@@H]3CCCCN32)on1.Cl.Cl.
What is the InChIKey of N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride?
The InChIKey is GNLWCMKXHUFRGJ-GMQBPZJWSA-N. The full InChI is InChI=1S/C18H28N4O2.2ClH/c1-12-6-15(24-21-12)8-18(23)20-11-17-14-7-13(9-19-10-14)16-4-2-3-5-22(16)17;;/h6,13-14,16-17,19H,2-5,7-11H2,1H3,(H,20,23);2*1H/t13-,14+,16+,17+;;/m1../s1.
What are the key properties of N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride?
N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride has a molecular weight of 405.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;dihydrochloride is sourced from PubChem (CID 171325858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).