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

C15H20N2O4 — CID 65178890

IUPACN-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cc(OC)c(OC)cc2OC)o1
InChIInChI=1S/C15H20N2O4/c1-5-16-9-15-17-8-14(21-15)10-6-12(19-3)13(20-4)7-11(10)18-2/h6-8,16H,5,9H2,1-4H3
InChIKeyYMKYDZRUJHOJMT-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.48
Rot. Bonds7

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

N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 65178890) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID65178890
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cc(OC)c(OC)cc2OC)o1
InChIInChI=1S/C15H20N2O4/c1-5-16-9-15-17-8-14(21-15)10-6-12(19-3)13(20-4)7-11(10)18-2/h6-8,16H,5,9H2,1-4H3
InChIKeyYMKYDZRUJHOJMT-UHFFFAOYSA-N
XLogP2.48
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 65178890) is N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(-c2cc(OC)c(OC)cc2OC)o1.
What is the InChIKey of N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is YMKYDZRUJHOJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-16-9-15-17-8-14(21-15)10-6-12(19-3)13(20-4)7-11(10)18-2/h6-8,16H,5,9H2,1-4H3.
What are the key properties of N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 292.34 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 65178890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).