N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine

C14H18N2O — CID 65239931

IUPACN-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnoc1-c1ccc(CC)cc1
InChIInChI=1S/C14H18N2O/c1-3-11-5-7-12(8-6-11)14-13(9-15-4-2)10-16-17-14/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyKDWCTWNYEGTHOO-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.01
Rot. Bonds5

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

N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine (PubChem CID 65239931) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
PubChem CID65239931
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnoc1-c1ccc(CC)cc1
InChIInChI=1S/C14H18N2O/c1-3-11-5-7-12(8-6-11)14-13(9-15-4-2)10-16-17-14/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyKDWCTWNYEGTHOO-UHFFFAOYSA-N
XLogP3.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine (CID 65239931) is N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine is CCNCc1cnoc1-c1ccc(CC)cc1.
What is the InChIKey of N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine?
The InChIKey is KDWCTWNYEGTHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-11-5-7-12(8-6-11)14-13(9-15-4-2)10-16-17-14/h5-8,10,15H,3-4,9H2,1-2H3.
What are the key properties of N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine?
N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65239931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).