N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine

C17H28N2O2 — CID 79231073

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)c2c(C)noc2C)C12CCCC2
InChIInChI=1S/C17H28N2O2/c1-5-20-15-10-14(17(15)8-6-7-9-17)18-11(2)16-12(3)19-21-13(16)4/h11,14-15,18H,5-10H2,1-4H3
InChIKeyXIHBBIVSEHELEY-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.68
Rot. Bonds5

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 79231073) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID79231073
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)c2c(C)noc2C)C12CCCC2
InChIInChI=1S/C17H28N2O2/c1-5-20-15-10-14(17(15)8-6-7-9-17)18-11(2)16-12(3)19-21-13(16)4/h11,14-15,18H,5-10H2,1-4H3
InChIKeyXIHBBIVSEHELEY-UHFFFAOYSA-N
XLogP3.68
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine 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 N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine (CID 79231073) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(NC(C)c2c(C)noc2C)C12CCCC2.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is XIHBBIVSEHELEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-20-15-10-14(17(15)8-6-7-9-17)18-11(2)16-12(3)19-21-13(16)4/h11,14-15,18H,5-10H2,1-4H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 79231073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).