2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole

C10H14N2O — CID 57311116

IUPAC2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole
SMILESCN1C2CCC1C(c1ncco1)C2
InChIInChI=1S/C10H14N2O/c1-12-7-2-3-9(12)8(6-7)10-11-4-5-13-10/h4-5,7-9H,2-3,6H2,1H3
InChIKeyUXGJUYVHFSNVRM-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.62
Rot. Bonds1

About 2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole

2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole (PubChem CID 57311116) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole
PubChem CID57311116
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole
SMILESCN1C2CCC1C(c1ncco1)C2
InChIInChI=1S/C10H14N2O/c1-12-7-2-3-9(12)8(6-7)10-11-4-5-13-10/h4-5,7-9H,2-3,6H2,1H3
InChIKeyUXGJUYVHFSNVRM-UHFFFAOYSA-N
XLogP1.62
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole?
The IUPAC name of 2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole (CID 57311116) is 2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole is CN1C2CCC1C(c1ncco1)C2.
What is the InChIKey of 2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole?
The InChIKey is UXGJUYVHFSNVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-7-2-3-9(12)8(6-7)10-11-4-5-13-10/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole?
2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole has a molecular weight of 178.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole is sourced from PubChem (CID 57311116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).