6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine

C12H19N3O — CID 154776061

IUPAC6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine
SMILESCc1conc1CN1CC(N)C2(CCC2)C1
InChIInChI=1S/C12H19N3O/c1-9-7-16-14-10(9)5-15-6-11(13)12(8-15)3-2-4-12/h7,11H,2-6,8,13H2,1H3
InChIKeyROISYOHOBBALQI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.30
Rot. Bonds2

About 6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine

6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine (PubChem CID 154776061) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine.

Molecular Properties

Compound Name6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine
PubChem CID154776061
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine
SMILESCc1conc1CN1CC(N)C2(CCC2)C1
InChIInChI=1S/C12H19N3O/c1-9-7-16-14-10(9)5-15-6-11(13)12(8-15)3-2-4-12/h7,11H,2-6,8,13H2,1H3
InChIKeyROISYOHOBBALQI-UHFFFAOYSA-N
XLogP1.30
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine?
The IUPAC name of 6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine (CID 154776061) is 6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine.
What is the SMILES notation for 6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine?
The canonical SMILES for 6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine is Cc1conc1CN1CC(N)C2(CCC2)C1.
What is the InChIKey of 6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine?
The InChIKey is ROISYOHOBBALQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-16-14-10(9)5-15-6-11(13)12(8-15)3-2-4-12/h7,11H,2-6,8,13H2,1H3.
What are the key properties of 6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine?
6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine has a molecular weight of 221.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine is sourced from PubChem (CID 154776061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).