N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine

C13H24N2O — CID 104773457

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine
SMILESCCCCC(CC)NC(C)c1ncc(C)o1
InChIInChI=1S/C13H24N2O/c1-5-7-8-12(6-2)15-11(4)13-14-9-10(3)16-13/h9,11-12,15H,5-8H2,1-4H3
InChIKeyOQYGSSFOMCMZEG-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.60
Rot. Bonds7

About N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine (PubChem CID 104773457) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine
PubChem CID104773457
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine
SMILESCCCCC(CC)NC(C)c1ncc(C)o1
InChIInChI=1S/C13H24N2O/c1-5-7-8-12(6-2)15-11(4)13-14-9-10(3)16-13/h9,11-12,15H,5-8H2,1-4H3
InChIKeyOQYGSSFOMCMZEG-UHFFFAOYSA-N
XLogP3.60
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine
CID 106387943
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 103893640
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
1-(2-fluorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387884
N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide
CID 106388635
1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387901
N-(2-methoxyethyl)-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893402
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 106387838
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
CID 104579761
N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine
CID 103096842
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine
CID 104628519
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 103893723

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine (CID 104773457) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine is CCCCC(CC)NC(C)c1ncc(C)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine?
The InChIKey is OQYGSSFOMCMZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-7-8-12(6-2)15-11(4)13-14-9-10(3)16-13/h9,11-12,15H,5-8H2,1-4H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine is sourced from PubChem (CID 104773457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).