3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol

C24H30N2O4 — CID 143639147

IUPAC3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol
SMILESCCc1cc(-c2nc(-c3cc(C)c(OCC(O)CO)c(C)c3)c(CC)o2)cc(C)n1
InChIInChI=1S/C24H30N2O4/c1-6-19-11-18(10-16(5)25-19)24-26-22(21(7-2)30-24)17-8-14(3)23(15(4)9-17)29-13-20(28)12-27/h8-11,20,27-28H,6-7,12-13H2,1-5H3
InChIKeyUXLQSXGVNVZHKZ-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.19
Rot. Bonds8

About 3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol

3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol (PubChem CID 143639147) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol
PubChem CID143639147
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol
SMILESCCc1cc(-c2nc(-c3cc(C)c(OCC(O)CO)c(C)c3)c(CC)o2)cc(C)n1
InChIInChI=1S/C24H30N2O4/c1-6-19-11-18(10-16(5)25-19)24-26-22(21(7-2)30-24)17-8-14(3)23(15(4)9-17)29-13-20(28)12-27/h8-11,20,27-28H,6-7,12-13H2,1-5H3
InChIKeyUXLQSXGVNVZHKZ-UHFFFAOYSA-N
XLogP4.19
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol?
The IUPAC name of 3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol (CID 143639147) is 3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol is CCc1cc(-c2nc(-c3cc(C)c(OCC(O)CO)c(C)c3)c(CC)o2)cc(C)n1.
What is the InChIKey of 3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol?
The InChIKey is UXLQSXGVNVZHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-6-19-11-18(10-16(5)25-19)24-26-22(21(7-2)30-24)17-8-14(3)23(15(4)9-17)29-13-20(28)12-27/h8-11,20,27-28H,6-7,12-13H2,1-5H3.
What are the key properties of 3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol?
3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol has a molecular weight of 410.51 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-ethyl-2-(2-ethyl-6-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2,6-dimethylphenoxy]propane-1,2-diol is sourced from PubChem (CID 143639147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).