8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one

C13H18N2O2 — CID 106376386

IUPAC8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCCc1cnc(CN2C3CCC2CC(=O)C3)o1
InChIInChI=1S/C13H18N2O2/c1-2-12-7-14-13(17-12)8-15-9-3-4-10(15)6-11(16)5-9/h7,9-10H,2-6,8H2,1H3
InChIKeySMMZMRLSCWEGOY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.93
Rot. Bonds3

About 8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one

8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 106376386) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
PubChem CID106376386
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCCc1cnc(CN2C3CCC2CC(=O)C3)o1
InChIInChI=1S/C13H18N2O2/c1-2-12-7-14-13(17-12)8-15-9-3-4-10(15)6-11(16)5-9/h7,9-10H,2-6,8H2,1H3
InChIKeySMMZMRLSCWEGOY-UHFFFAOYSA-N
XLogP1.93
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one (CID 106376386) is 8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one is CCc1cnc(CN2C3CCC2CC(=O)C3)o1.
What is the InChIKey of 8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is SMMZMRLSCWEGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-12-7-14-13(17-12)8-15-9-3-4-10(15)6-11(16)5-9/h7,9-10H,2-6,8H2,1H3.
What are the key properties of 8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 234.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-ethyl-1,3-oxazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 106376386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).