3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone

C11H15N3O3 — CID 68601554

IUPAC3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CCC3CNC3C2)on1
InChIInChI=1S/C11H15N3O3/c1-16-10-4-9(17-13-10)11(15)14-3-2-7-5-12-8(7)6-14/h4,7-8,12H,2-3,5-6H2,1H3
InChIKeyVUWJIVITHBRJHE-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.12
Rot. Bonds2

About 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone

3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 68601554) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID68601554
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CCC3CNC3C2)on1
InChIInChI=1S/C11H15N3O3/c1-16-10-4-9(17-13-10)11(15)14-3-2-7-5-12-8(7)6-14/h4,7-8,12H,2-3,5-6H2,1H3
InChIKeyVUWJIVITHBRJHE-UHFFFAOYSA-N
XLogP0.12
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 68602043
methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate
CID 90573723
3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone
CID 68602310
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573953
4-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methylpiperazine-1-sulfonamide
CID 138993831
1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 68602065
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131689476
(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573738
(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63392780
(3-methoxy-1,2-oxazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 90573958
(3-methoxy-1,2-oxazol-5-yl)-(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131681792
1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528030

Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 68601554) is 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone is COc1cc(C(=O)N2CCC3CNC3C2)on1.
What is the InChIKey of 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is VUWJIVITHBRJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-10-4-9(17-13-10)11(15)14-3-2-7-5-12-8(7)6-14/h4,7-8,12H,2-3,5-6H2,1H3.
What are the key properties of 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 237.26 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 68601554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).