N-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine

C16H22N2O2 — CID 54846478

IUPACN-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc(OC(C)CC)cc2)on1
InChIInChI=1S/C16H22N2O2/c1-4-12(3)19-15-8-6-13(7-9-15)16-10-14(18-20-16)11-17-5-2/h6-10,12,17H,4-5,11H2,1-3H3
InChIKeyJNFUEUXIABIBFU-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.63
Rot. Bonds7

About N-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine

N-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 54846478) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID54846478
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc(OC(C)CC)cc2)on1
InChIInChI=1S/C16H22N2O2/c1-4-12(3)19-15-8-6-13(7-9-15)16-10-14(18-20-16)11-17-5-2/h6-10,12,17H,4-5,11H2,1-3H3
InChIKeyJNFUEUXIABIBFU-UHFFFAOYSA-N
XLogP3.63
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine 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-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 54846478) is N-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(-c2ccc(OC(C)CC)cc2)on1.
What is the InChIKey of N-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is JNFUEUXIABIBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-12(3)19-15-8-6-13(7-9-15)16-10-14(18-20-16)11-17-5-2/h6-10,12,17H,4-5,11H2,1-3H3.
What are the key properties of N-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 274.36 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-butan-2-yloxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 54846478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).