N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine

C13H16N2O2 — CID 46743748

IUPACN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C13H16N2O2/c1-3-14-9-11-8-13(17-15-11)10-5-4-6-12(7-10)16-2/h4-8,14H,3,9H2,1-2H3
InChIKeySIIQMAPZZPMRCL-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.46
Rot. Bonds5

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

N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 46743748) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID46743748
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C13H16N2O2/c1-3-14-9-11-8-13(17-15-11)10-5-4-6-12(7-10)16-2/h4-8,14H,3,9H2,1-2H3
InChIKeySIIQMAPZZPMRCL-UHFFFAOYSA-N
XLogP2.46
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 46743748) is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(-c2cccc(OC)c2)on1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is SIIQMAPZZPMRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-14-9-11-8-13(17-15-11)10-5-4-6-12(7-10)16-2/h4-8,14H,3,9H2,1-2H3.
What are the key properties of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 232.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 46743748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).