8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone

C11H13NO3 — CID 171938724

IUPAC8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone
SMILESO=C(c1cnoc1)C1CC2CCC(C1)O2
InChIInChI=1S/C11H13NO3/c13-11(8-5-12-14-6-8)7-3-9-1-2-10(4-7)15-9/h5-7,9-10H,1-4H2
InChIKeyDSMHCFSRERGEDW-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.81
Rot. Bonds2

About 8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone

8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone (PubChem CID 171938724) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone
PubChem CID171938724
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone
SMILESO=C(c1cnoc1)C1CC2CCC(C1)O2
InChIInChI=1S/C11H13NO3/c13-11(8-5-12-14-6-8)7-3-9-1-2-10(4-7)15-9/h5-7,9-10H,1-4H2
InChIKeyDSMHCFSRERGEDW-UHFFFAOYSA-N
XLogP1.81
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171943649
(5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950409
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950826
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(1,2-oxazol-4-yl)methanone
CID 171938730
(4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171940676
[3-(1,3-dioxolan-2-yl)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171948865
(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950940
[3-methyl-4-(trifluoromethyl)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171949890
1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945816
benzyl 7-(1,2-oxazole-4-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171938742
N-(cyclobutylmethyl)-1,2-oxazole-4-carboxamide
CID 130658689
8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone
CID 171941811

Frequently Asked Questions

What is the IUPAC name of 8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone?
The IUPAC name of 8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone (CID 171938724) is 8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone.
What is the SMILES notation for 8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone?
The canonical SMILES for 8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone is O=C(c1cnoc1)C1CC2CCC(C1)O2.
What is the InChIKey of 8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone?
The InChIKey is DSMHCFSRERGEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-11(8-5-12-14-6-8)7-3-9-1-2-10(4-7)15-9/h5-7,9-10H,1-4H2.
What are the key properties of 8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone?
8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone has a molecular weight of 207.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 171938724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).