2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone

C11H15N3O2 — CID 68600353

IUPAC2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCC2CC1CN2
InChIInChI=1S/C11H15N3O2/c1-7-10(6-13-16-7)11(15)14-3-2-8-4-9(14)5-12-8/h6,8-9,12H,2-5H2,1H3
InChIKeyWBWQXIBKIYPDGQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.56
Rot. Bonds1

About 2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone

2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 68600353) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID68600353
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCC2CC1CN2
InChIInChI=1S/C11H15N3O2/c1-7-10(6-13-16-7)11(15)14-3-2-8-4-9(14)5-12-8/h6,8-9,12H,2-5H2,1H3
InChIKeyWBWQXIBKIYPDGQ-UHFFFAOYSA-N
XLogP0.56
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 68603200
3,6-diazabicyclo[3.2.0]heptan-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 25072614
[(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 124835252
methyl (2R)-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 113330671
2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid
CID 54899806
[5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 131655442
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 107109147
(3-aminoazetidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 65244931
(4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 79868336
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 70740192
[4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 126856147
(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594

Frequently Asked Questions

What is the IUPAC name of 2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of 2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone (CID 68600353) is 2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for 2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for 2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CCC2CC1CN2.
What is the InChIKey of 2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is WBWQXIBKIYPDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-10(6-13-16-7)11(15)14-3-2-8-4-9(14)5-12-8/h6,8-9,12H,2-5H2,1H3.
What are the key properties of 2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone?
2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 68600353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).