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

C22H27N5O2 — CID 72855069

IUPAC2-[[(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
SMILESCc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(Cc1nnc(-c3ccccc3)o1)C2
InChIInChI=1S/C22H27N5O2/c1-15-20(16(2)29-25-15)13-26-10-17-8-9-19(12-26)27(11-17)14-21-23-24-22(28-21)18-6-4-3-5-7-18/h3-7,17,19H,8-14H2,1-2H3/t17-,19+/m0/s1
InChIKeyVTWFDFJHKBOMQH-PKOBYXMFSA-N
MW393.49 g/mol
LogP3.44
Rot. Bonds5

About 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

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 (PubChem CID 72855069) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[(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
PubChem CID72855069
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-[[(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
SMILESCc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(Cc1nnc(-c3ccccc3)o1)C2
InChIInChI=1S/C22H27N5O2/c1-15-20(16(2)29-25-15)13-26-10-17-8-9-19(12-26)27(11-17)14-21-23-24-22(28-21)18-6-4-3-5-7-18/h3-7,17,19H,8-14H2,1-2H3/t17-,19+/m0/s1
InChIKeyVTWFDFJHKBOMQH-PKOBYXMFSA-N
XLogP3.44
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-[[(1R,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 133138226
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
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
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
3,5-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
[(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
4-[(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 75461514
5-[[(1S,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-methyl-1,2-oxazole
CID 72844794
[(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
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(Cc1nnc(-c3ccccc3)o1)C2.
What is the InChIKey of 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?
The InChIKey is VTWFDFJHKBOMQH-PKOBYXMFSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-20(16(2)29-25-15)13-26-10-17-8-9-19(12-26)27(11-17)14-21-23-24-22(28-21)18-6-4-3-5-7-18/h3-7,17,19H,8-14H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 393.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 72855069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).