5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

C11H16N2O2 — CID 122269719

IUPAC5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCc1noc(C)c1CN1CC2CC1CO2
InChIInChI=1S/C11H16N2O2/c1-7-11(8(2)15-12-7)5-13-4-10-3-9(13)6-14-10/h9-10H,3-6H2,1-2H3
InChIKeyUGEKEOMCVZYQNO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.26
Rot. Bonds2

About 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 122269719) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID122269719
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCc1noc(C)c1CN1CC2CC1CO2
InChIInChI=1S/C11H16N2O2/c1-7-11(8(2)15-12-7)5-13-4-10-3-9(13)6-14-10/h9-10H,3-6H2,1-2H3
InChIKeyUGEKEOMCVZYQNO-UHFFFAOYSA-N
XLogP1.26
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 122269719) is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is Cc1noc(C)c1CN1CC2CC1CO2.
What is the InChIKey of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is UGEKEOMCVZYQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-11(8(2)15-12-7)5-13-4-10-3-9(13)6-14-10/h9-10H,3-6H2,1-2H3.
What are the key properties of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 208.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 122269719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).