(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate

C17H20N2O5 — CID 2434486

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2c(C)noc2C)cc1
InChIInChI=1S/C17H20N2O5/c1-4-22-14-7-5-13(6-8-14)17(21)18-9-16(20)23-10-15-11(2)19-24-12(15)3/h5-8H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyDIWUJCQZWGDKKA-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.16
Rot. Bonds7

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 2434486) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID2434486
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2c(C)noc2C)cc1
InChIInChI=1S/C17H20N2O5/c1-4-22-14-7-5-13(6-8-14)17(21)18-9-16(20)23-10-15-11(2)19-24-12(15)3/h5-8H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyDIWUJCQZWGDKKA-UHFFFAOYSA-N
XLogP2.16
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)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 (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate (CID 2434486) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCc2c(C)noc2C)cc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is DIWUJCQZWGDKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-4-22-14-7-5-13(6-8-14)17(21)18-9-16(20)23-10-15-11(2)19-24-12(15)3/h5-8H,4,9-10H2,1-3H3,(H,18,21).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 332.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2434486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).