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

C25H28N2O5 — CID 24950088

IUPAC2-[2-methyl-4-[(E)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid
SMILESCCC/C(=N\OCc1nc(-c2ccc(C)cc2)oc1C)c1ccc(OCC(=O)O)c(C)c1
InChIInChI=1S/C25H28N2O5/c1-5-6-21(20-11-12-23(17(3)13-20)30-15-24(28)29)27-31-14-22-18(4)32-25(26-22)19-9-7-16(2)8-10-19/h7-13H,5-6,14-15H2,1-4H3,(H,28,29)/b27-21+
InChIKeyBCBLIOQXFWKIGS-SZXQPVLSSA-N
MW436.51 g/mol
LogP5.45
Rot. Bonds10

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

2-[2-methyl-4-[(E)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid (PubChem CID 24950088) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[2-methyl-4-[(E)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-[(E)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid
PubChem CID24950088
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name2-[2-methyl-4-[(E)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid
SMILESCCC/C(=N\OCc1nc(-c2ccc(C)cc2)oc1C)c1ccc(OCC(=O)O)c(C)c1
InChIInChI=1S/C25H28N2O5/c1-5-6-21(20-11-12-23(17(3)13-20)30-15-24(28)29)27-31-14-22-18(4)32-25(26-22)19-9-7-16(2)8-10-19/h7-13H,5-6,14-15H2,1-4H3,(H,28,29)/b27-21+
InChIKeyBCBLIOQXFWKIGS-SZXQPVLSSA-N
XLogP5.45
TPSA94.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.45
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[(E)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methyl-4-[(E)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid (CID 24950088) is 2-[2-methyl-4-[(E)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-[(E)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methyl-4-[(E)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid is CCC/C(=N\OCc1nc(-c2ccc(C)cc2)oc1C)c1ccc(OCC(=O)O)c(C)c1.
What is the InChIKey of 2-[2-methyl-4-[(E)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid?
The InChIKey is BCBLIOQXFWKIGS-SZXQPVLSSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-5-6-21(20-11-12-23(17(3)13-20)30-15-24(28)29)27-31-14-22-18(4)32-25(26-22)19-9-7-16(2)8-10-19/h7-13H,5-6,14-15H2,1-4H3,(H,28,29)/b27-21+.
What are the key properties of 2-[2-methyl-4-[(E)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid?
2-[2-methyl-4-[(E)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid has a molecular weight of 436.51 g/mol, XLogP of 5.45, 10 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)-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-C-propylcarbonimidoyl]phenoxy]acetic acid is sourced from PubChem (CID 24950088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).