4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole

C12H19N3O — CID 124547930

IUPAC4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1C[C@H]2CN[C@@H](C2)C1
InChIInChI=1S/C12H19N3O/c1-8-12(9(2)16-14-8)7-15-5-10-3-11(6-15)13-4-10/h10-11,13H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyZCGUHQAZUPLLCH-MNOVXSKESA-N
MW221.30 g/mol
LogP1.09
Rot. Bonds2

About 4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 124547930) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID124547930
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1C[C@H]2CN[C@@H](C2)C1
InChIInChI=1S/C12H19N3O/c1-8-12(9(2)16-14-8)7-15-5-10-3-11(6-15)13-4-10/h10-11,13H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyZCGUHQAZUPLLCH-MNOVXSKESA-N
XLogP1.09
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

(1R,5S)-3-[(3,5-dimethylphenyl)methyl]-3,6-diazabicyclo[3.2.1]octane
CID 124546719
4-[[6-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 156606892
3-benzyl-3,6-diazabicyclo[3.2.1]octane
CID 67130828
3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 79238201
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
4-[[(3aS,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97452960
4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 63909845
3,5-dimethyl-4-[[(1R,5S)-6-[(2-methylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2-oxazole
CID 133115943
2-[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetic acid
CID 72890514
3,5-dimethyl-4-[[2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,2-oxazole
CID 131697561
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine
CID 79238250

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 124547930) is 4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1C[C@H]2CN[C@@H](C2)C1.
What is the InChIKey of 4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZCGUHQAZUPLLCH-MNOVXSKESA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-12(9(2)16-14-8)7-15-5-10-3-11(6-15)13-4-10/h10-11,13H,3-7H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of 4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 221.30 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 124547930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).