ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate

C20H27N3O5 — CID 71816236

IUPACethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate
SMILESCCCN(C(=O)Nc1cc(C)on1)c1ccc(OC(C)(C)C(=O)OCC)cc1
InChIInChI=1S/C20H27N3O5/c1-6-12-23(19(25)21-17-13-14(3)28-22-17)15-8-10-16(11-9-15)27-20(4,5)18(24)26-7-2/h8-11,13H,6-7,12H2,1-5H3,(H,21,22,25)
InChIKeyJEUQWKXOACXMBX-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.15
Rot. Bonds8

About ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate

ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate (PubChem CID 71816236) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate
PubChem CID71816236
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Nameethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate
SMILESCCCN(C(=O)Nc1cc(C)on1)c1ccc(OC(C)(C)C(=O)OCC)cc1
InChIInChI=1S/C20H27N3O5/c1-6-12-23(19(25)21-17-13-14(3)28-22-17)15-8-10-16(11-9-15)27-20(4,5)18(24)26-7-2/h8-11,13H,6-7,12H2,1-5H3,(H,21,22,25)
InChIKeyJEUQWKXOACXMBX-UHFFFAOYSA-N
XLogP4.15
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-pentylamino]phenoxy]propanoate
CID 71816248
ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate
CID 71816252
2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid
CID 71816237
ethyl 4-[acetyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]benzoate
CID 113133389
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenoxyacetyl)-propylamino]acetamide
CID 4117230
ethyl 2-[4-[[[(4-bromo-2,6-dimethylphenyl)-heptylcarbamoyl]amino]methyl]phenoxy]-2-methylpropanoate
CID 67686143
ethyl 2-(4-ethynylphenoxy)-2-methylpropanoate
CID 21494890
ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate
CID 156541205
2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109010414
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea
CID 18101657
ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate?
The IUPAC name of ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate (CID 71816236) is ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate is CCCN(C(=O)Nc1cc(C)on1)c1ccc(OC(C)(C)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate?
The InChIKey is JEUQWKXOACXMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-6-12-23(19(25)21-17-13-14(3)28-22-17)15-8-10-16(11-9-15)27-20(4,5)18(24)26-7-2/h8-11,13H,6-7,12H2,1-5H3,(H,21,22,25).
What are the key properties of ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate?
ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate has a molecular weight of 389.45 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate is sourced from PubChem (CID 71816236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).