(5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine

C11H16N2O — CID 164660369

IUPAC(5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine
SMILESNCc1ncc(C2CC3(CCC3)C2)o1
InChIInChI=1S/C11H16N2O/c12-6-10-13-7-9(14-10)8-4-11(5-8)2-1-3-11/h7-8H,1-6,12H2
InChIKeyVTKKIFBBRASZGE-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.18
Rot. Bonds2

About (5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine

(5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine (PubChem CID 164660369) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine
PubChem CID164660369
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine
SMILESNCc1ncc(C2CC3(CCC3)C2)o1
InChIInChI=1S/C11H16N2O/c12-6-10-13-7-9(14-10)8-4-11(5-8)2-1-3-11/h7-8H,1-6,12H2
InChIKeyVTKKIFBBRASZGE-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine?
The IUPAC name of (5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine (CID 164660369) is (5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine.
What is the SMILES notation for (5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine?
The canonical SMILES for (5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine is NCc1ncc(C2CC3(CCC3)C2)o1.
What is the InChIKey of (5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine?
The InChIKey is VTKKIFBBRASZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-6-10-13-7-9(14-10)8-4-11(5-8)2-1-3-11/h7-8H,1-6,12H2.
What are the key properties of (5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine?
(5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine has a molecular weight of 192.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-spiro[3.3]heptan-2-yl-1,3-oxazol-2-yl)methanamine is sourced from PubChem (CID 164660369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).