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

C17H20N2O5 — CID 2479437

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1c(C)noc1C
InChIInChI=1S/C17H20N2O5/c1-4-22-15-8-6-5-7-13(15)17(21)18-9-16(20)23-10-14-11(2)19-24-12(14)3/h5-8H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyWYZURDZJQPYQBH-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.16
Rot. Bonds7

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

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 2479437) 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-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID2479437
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1c(C)noc1C
InChIInChI=1S/C17H20N2O5/c1-4-22-15-8-6-5-7-13(15)17(21)18-9-16(20)23-10-14-11(2)19-24-12(14)3/h5-8H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyWYZURDZJQPYQBH-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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 2479437) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCc1c(C)noc1C.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is WYZURDZJQPYQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-4-22-15-8-6-5-7-13(15)17(21)18-9-16(20)23-10-14-11(2)19-24-12(14)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-[(2-ethoxybenzoyl)amino]acetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-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-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2479437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).