2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid

C23H24N2O5 — CID 24949596

IUPAC2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid
SMILESC/C(=N\OCc1nc(-c2ccc(C)cc2)oc1C)c1ccc(OCC(=O)O)c(C)c1
InChIInChI=1S/C23H24N2O5/c1-14-5-7-18(8-6-14)23-24-20(17(4)30-23)12-29-25-16(3)19-9-10-21(15(2)11-19)28-13-22(26)27/h5-11H,12-13H2,1-4H3,(H,26,27)/b25-16+
InChIKeyKOKMBZJOVKNCIL-PCLIKHOPSA-N
MW408.45 g/mol
LogP4.67
Rot. Bonds8

About 2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid

2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid (PubChem CID 24949596) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid
PubChem CID24949596
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid
SMILESC/C(=N\OCc1nc(-c2ccc(C)cc2)oc1C)c1ccc(OCC(=O)O)c(C)c1
InChIInChI=1S/C23H24N2O5/c1-14-5-7-18(8-6-14)23-24-20(17(4)30-23)12-29-25-16(3)19-9-10-21(15(2)11-19)28-13-22(26)27/h5-11H,12-13H2,1-4H3,(H,26,27)/b25-16+
InChIKeyKOKMBZJOVKNCIL-PCLIKHOPSA-N
XLogP4.67
TPSA94.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid (CID 24949596) is 2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid is C/C(=N\OCc1nc(-c2ccc(C)cc2)oc1C)c1ccc(OCC(=O)O)c(C)c1.
What is the InChIKey of 2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid?
The InChIKey is KOKMBZJOVKNCIL-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-14-5-7-18(8-6-14)23-24-20(17(4)30-23)12-29-25-16(3)19-9-10-21(15(2)11-19)28-13-22(26)27/h5-11H,12-13H2,1-4H3,(H,26,27)/b25-16+.
What are the key properties of 2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid?
2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid has a molecular weight of 408.45 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[(E)-C-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]carbonimidoyl]phenoxy]acetic acid is sourced from PubChem (CID 24949596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).