4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole

C11H16N2O — CID 19887598

IUPAC4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(C23CCCN(CC2)C3)co1
InChIInChI=1S/C11H16N2O/c1-9-12-10(7-14-9)11-3-2-5-13(8-11)6-4-11/h7H,2-6,8H2,1H3
InChIKeyUHMPYIVGKPWXDZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.72
Rot. Bonds1

About 4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole

4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole (PubChem CID 19887598) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole
PubChem CID19887598
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(C23CCCN(CC2)C3)co1
InChIInChI=1S/C11H16N2O/c1-9-12-10(7-14-9)11-3-2-5-13(8-11)6-4-11/h7H,2-6,8H2,1H3
InChIKeyUHMPYIVGKPWXDZ-UHFFFAOYSA-N
XLogP1.72
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole (CID 19887598) is 4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole is Cc1nc(C23CCCN(CC2)C3)co1.
What is the InChIKey of 4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole?
The InChIKey is UHMPYIVGKPWXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-12-10(7-14-9)11-3-2-5-13(8-11)6-4-11/h7H,2-6,8H2,1H3.
What are the key properties of 4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole?
4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole has a molecular weight of 192.26 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azabicyclo[3.2.1]octan-5-yl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 19887598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).