(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone

C12H16N2O3 — CID 79488239

IUPAC(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H16N2O3/c1-7-11(17-6-13-7)12(16)14-8-2-3-9(14)5-10(15)4-8/h6,8-10,15H,2-5H2,1H3
InChIKeyJDHZWOXPNYLLDK-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.11
Rot. Bonds1

About (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 79488239) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID79488239
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H16N2O3/c1-7-11(17-6-13-7)12(16)14-8-2-3-9(14)5-10(15)4-8/h6,8-10,15H,2-5H2,1H3
InChIKeyJDHZWOXPNYLLDK-UHFFFAOYSA-N
XLogP1.11
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone (CID 79488239) is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is JDHZWOXPNYLLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-11(17-6-13-7)12(16)14-8-2-3-9(14)5-10(15)4-8/h6,8-10,15H,2-5H2,1H3.
What are the key properties of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone?
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 236.27 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 79488239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).