(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate

C22H19Cl2N3O5 — CID 16589137

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H19Cl2N3O5/c1-13-18(27-22(32-13)14-5-3-2-4-6-14)12-31-20(29)11-25-19(28)10-26-21(30)16-8-7-15(23)9-17(16)24/h2-9H,10-12H2,1H3,(H,25,28)(H,26,30)
InChIKeyRRVKXMIYSPGALT-UHFFFAOYSA-N
MW476.32 g/mol
LogP3.55
Rot. Bonds8

About (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate (PubChem CID 16589137) has the molecular formula C22H19Cl2N3O5 and a molecular weight of 476.32 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
PubChem CID16589137
Molecular FormulaC22H19Cl2N3O5
Molecular Weight476.32 g/mol
Exact Mass475.07
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H19Cl2N3O5/c1-13-18(27-22(32-13)14-5-3-2-4-6-14)12-31-20(29)11-25-19(28)10-26-21(30)16-8-7-15(23)9-17(16)24/h2-9H,10-12H2,1H3,(H,25,28)(H,26,30)
InChIKeyRRVKXMIYSPGALT-UHFFFAOYSA-N
XLogP3.55
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.32
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate 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 (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate (CID 16589137) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate is Cc1oc(-c2ccccc2)nc1COC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
The InChIKey is RRVKXMIYSPGALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O5/c1-13-18(27-22(32-13)14-5-3-2-4-6-14)12-31-20(29)11-25-19(28)10-26-21(30)16-8-7-15(23)9-17(16)24/h2-9H,10-12H2,1H3,(H,25,28)(H,26,30).
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate has a molecular weight of 476.32 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 16589137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).