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

C13H16N2O4 — CID 65179670

IUPAC[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCOc1cc(OC)c(-c2cnc(CN)o2)cc1OC
InChIInChI=1S/C13H16N2O4/c1-16-9-5-11(18-3)10(17-2)4-8(9)12-7-15-13(6-14)19-12/h4-5,7H,6,14H2,1-3H3
InChIKeyFVENHWRIWYDOCA-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.83
Rot. Bonds5

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

[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 65179670) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is [5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine
PubChem CID65179670
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCOc1cc(OC)c(-c2cnc(CN)o2)cc1OC
InChIInChI=1S/C13H16N2O4/c1-16-9-5-11(18-3)10(17-2)4-8(9)12-7-15-13(6-14)19-12/h4-5,7H,6,14H2,1-3H3
InChIKeyFVENHWRIWYDOCA-UHFFFAOYSA-N
XLogP1.83
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65178890
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
[5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360064
[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179787
5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazol-2-amine
CID 82290583
3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 112742085
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole
CID 43144202
[5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179555
[5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine
CID 65178572
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 82298313

Frequently Asked Questions

What is the IUPAC name of [5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine (CID 65179670) is [5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine is COc1cc(OC)c(-c2cnc(CN)o2)cc1OC.
What is the InChIKey of [5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is FVENHWRIWYDOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-16-9-5-11(18-3)10(17-2)4-8(9)12-7-15-13(6-14)19-12/h4-5,7H,6,14H2,1-3H3.
What are the key properties of [5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine?
[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 264.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 65179670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).