methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate

C23H24N2O6 — CID 24819952

IUPACmethyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccccc2OCc2c(C)noc2C)ccc1OC
InChIInChI=1S/C23H24N2O6/c1-14-19(15(2)31-25-14)13-30-21-8-6-5-7-17(21)22(26)24-12-16-9-10-20(28-3)18(11-16)23(27)29-4/h5-11H,12-13H2,1-4H3,(H,24,26)
InChIKeyPQBZKIYOGINFPC-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.60
Rot. Bonds8

About methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate

methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate (PubChem CID 24819952) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate
PubChem CID24819952
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Namemethyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccccc2OCc2c(C)noc2C)ccc1OC
InChIInChI=1S/C23H24N2O6/c1-14-19(15(2)31-25-14)13-30-21-8-6-5-7-17(21)22(26)24-12-16-9-10-20(28-3)18(11-16)23(27)29-4/h5-11H,12-13H2,1-4H3,(H,24,26)
InChIKeyPQBZKIYOGINFPC-UHFFFAOYSA-N
XLogP3.60
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate (CID 24819952) is methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate is COC(=O)c1cc(CNC(=O)c2ccccc2OCc2c(C)noc2C)ccc1OC.
What is the InChIKey of methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate?
The InChIKey is PQBZKIYOGINFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-14-19(15(2)31-25-14)13-30-21-8-6-5-7-17(21)22(26)24-12-16-9-10-20(28-3)18(11-16)23(27)29-4/h5-11H,12-13H2,1-4H3,(H,24,26).
What are the key properties of methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate?
methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate has a molecular weight of 424.45 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 24819952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).