2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid

C22H20ClFN2O6 — CID 23649183

IUPAC2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid
SMILESCOC(=O)N(CC(=O)O)Cc1cc(F)cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1
InChIInChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)15-3-5-16(23)6-4-15)12-31-18-8-14(7-17(24)9-18)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)
InChIKeyWRIGKAXYBAIJRE-UHFFFAOYSA-N
MW462.86 g/mol
LogP4.67
Rot. Bonds8

About 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid

2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid (PubChem CID 23649183) has the molecular formula C22H20ClFN2O6 and a molecular weight of 462.86 g/mol. Its IUPAC name is 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid
PubChem CID23649183
Molecular FormulaC22H20ClFN2O6
Molecular Weight462.86 g/mol
Exact Mass462.10
IUPAC Name2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid
SMILESCOC(=O)N(CC(=O)O)Cc1cc(F)cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1
InChIInChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)15-3-5-16(23)6-4-15)12-31-18-8-14(7-17(24)9-18)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)
InChIKeyWRIGKAXYBAIJRE-UHFFFAOYSA-N
XLogP4.67
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]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-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid?
The IUPAC name of 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid (CID 23649183) is 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid?
The canonical SMILES for 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid is COC(=O)N(CC(=O)O)Cc1cc(F)cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1.
What is the InChIKey of 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid?
The InChIKey is WRIGKAXYBAIJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)15-3-5-16(23)6-4-15)12-31-18-8-14(7-17(24)9-18)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28).
What are the key properties of 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid?
2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid has a molecular weight of 462.86 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-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-5-fluorophenyl]methyl-methoxycarbonylamino]acetic acid is sourced from PubChem (CID 23649183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).