1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine

C25H27N3O4 — CID 56668338

IUPAC1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
SMILESCCOc1ccc(-c2nc(CN(C)Cc3coc(-c4ccc(OCC)cc4)n3)co2)cc1
InChIInChI=1S/C25H27N3O4/c1-4-29-22-10-6-18(7-11-22)24-26-20(16-31-24)14-28(3)15-21-17-32-25(27-21)19-8-12-23(13-9-19)30-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3
InChIKeyOXBSHUXFUXMVHL-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.43
Rot. Bonds10

About 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine

1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine (PubChem CID 56668338) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
PubChem CID56668338
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
SMILESCCOc1ccc(-c2nc(CN(C)Cc3coc(-c4ccc(OCC)cc4)n3)co2)cc1
InChIInChI=1S/C25H27N3O4/c1-4-29-22-10-6-18(7-11-22)24-26-20(16-31-24)14-28(3)15-21-17-32-25(27-21)19-8-12-23(13-9-19)30-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3
InChIKeyOXBSHUXFUXMVHL-UHFFFAOYSA-N
XLogP5.43
TPSA73.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine (CID 56668338) is 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine is CCOc1ccc(-c2nc(CN(C)Cc3coc(-c4ccc(OCC)cc4)n3)co2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
The InChIKey is OXBSHUXFUXMVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-4-29-22-10-6-18(7-11-22)24-26-20(16-31-24)14-28(3)15-21-17-32-25(27-21)19-8-12-23(13-9-19)30-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3.
What are the key properties of 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine has a molecular weight of 433.51 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 56668338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).