N-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine

C15H20N2O — CID 19710160

IUPACN-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC1CCCc2c(NC3=NCCO3)cccc21
InChIInChI=1S/C15H20N2O/c1-2-11-5-3-7-13-12(11)6-4-8-14(13)17-15-16-9-10-18-15/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyIQKRJAMDGBLUQZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.31
Rot. Bonds2

About N-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine

N-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 19710160) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID19710160
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC1CCCc2c(NC3=NCCO3)cccc21
InChIInChI=1S/C15H20N2O/c1-2-11-5-3-7-13-12(11)6-4-8-14(13)17-15-16-9-10-18-15/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyIQKRJAMDGBLUQZ-UHFFFAOYSA-N
XLogP3.31
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-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-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine (CID 19710160) is N-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine is CCC1CCCc2c(NC3=NCCO3)cccc21.
What is the InChIKey of N-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is IQKRJAMDGBLUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-11-5-3-7-13-12(11)6-4-8-14(13)17-15-16-9-10-18-15/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,16,17).
What are the key properties of N-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine?
N-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 244.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 19710160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).