[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine

C11H16N2O — CID 79139526

IUPAC[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1C1CC2CCC1C2
InChIInChI=1S/C11H16N2O/c12-5-10-11(14-6-13-10)9-4-7-1-2-8(9)3-7/h6-9H,1-5,12H2
InChIKeyZNTUHPVTPKGUGQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.04
Rot. Bonds2

About [5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine

[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79139526) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine
PubChem CID79139526
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1C1CC2CCC1C2
InChIInChI=1S/C11H16N2O/c12-5-10-11(14-6-13-10)9-4-7-1-2-8(9)3-7/h6-9H,1-5,12H2
InChIKeyZNTUHPVTPKGUGQ-UHFFFAOYSA-N
XLogP2.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine 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 [5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine (CID 79139526) is [5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine is NCc1ncoc1C1CC2CCC1C2.
What is the InChIKey of [5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is ZNTUHPVTPKGUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-5-10-11(14-6-13-10)9-4-7-1-2-8(9)3-7/h6-9H,1-5,12H2.
What are the key properties of [5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine?
[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 192.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79139526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).