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

C19H30N4O — CID 156606892

IUPAC4-[[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
SMILESCc1noc(C)c1CN1CC2CCC(C1)N(CC1C3CNCC31)C2
InChIInChI=1S/C19H30N4O/c1-12-18(13(2)24-21-12)10-22-7-14-3-4-15(9-22)23(8-14)11-19-16-5-20-6-17(16)19/h14-17,19-20H,3-11H2,1-2H3
InChIKeyVBIGHTCLRHISHE-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.65
Rot. Bonds4

About 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

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 (PubChem CID 156606892) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID156606892
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name4-[[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
SMILESCc1noc(C)c1CN1CC2CCC(C1)N(CC1C3CNCC31)C2
InChIInChI=1S/C19H30N4O/c1-12-18(13(2)24-21-12)10-22-7-14-3-4-15(9-22)23(8-14)11-19-16-5-20-6-17(16)19/h14-17,19-20H,3-11H2,1-2H3
InChIKeyVBIGHTCLRHISHE-UHFFFAOYSA-N
XLogP1.65
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[[(1S,5R)-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2-oxazole
CID 72875542
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
4-[[(1S,5R)-6-[(2,3-difluoro-4-methylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 72838432
(1S,5R)-6-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-benzyl-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride
CID 154900726
4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124547930
2-[[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 72855069
[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(oxan-4-yl)methanone
CID 72872464
3,5-dimethyl-4-[[(1S,5R)-6-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2-oxazole
CID 72864834
(3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133118059
[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-methylthiophen-2-yl)methanone
CID 72877227
1-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 133137783

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C)c1CN1CC2CCC(C1)N(CC1C3CNCC31)C2.
What is the InChIKey of 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?
The InChIKey is VBIGHTCLRHISHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-12-18(13(2)24-21-12)10-22-7-14-3-4-15(9-22)23(8-14)11-19-16-5-20-6-17(16)19/h14-17,19-20H,3-11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 330.48 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156606892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).