1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine

C15H20N2O4 — CID 106223852

IUPAC1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2ccc(OC)c(OC)c2OC)no1
InChIInChI=1S/C15H20N2O4/c1-5-10(16)13-8-11(17-21-13)9-6-7-12(18-2)15(20-4)14(9)19-3/h6-8,10H,5,16H2,1-4H3
InChIKeyTXMAYANCWGHLPE-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.78
Rot. Bonds6

About 1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine

1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine (PubChem CID 106223852) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
PubChem CID106223852
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2ccc(OC)c(OC)c2OC)no1
InChIInChI=1S/C15H20N2O4/c1-5-10(16)13-8-11(17-21-13)9-6-7-12(18-2)15(20-4)14(9)19-3/h6-8,10H,5,16H2,1-4H3
InChIKeyTXMAYANCWGHLPE-UHFFFAOYSA-N
XLogP2.78
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine?
The IUPAC name of 1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine (CID 106223852) is 1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine is CCC(N)c1cc(-c2ccc(OC)c(OC)c2OC)no1.
What is the InChIKey of 1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine?
The InChIKey is TXMAYANCWGHLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-10(16)13-8-11(17-21-13)9-6-7-12(18-2)15(20-4)14(9)19-3/h6-8,10H,5,16H2,1-4H3.
What are the key properties of 1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine?
1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine has a molecular weight of 292.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 106223852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).