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

C19H24N2O6 — CID 2477230

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2c(C)noc2C)cc1OCC
InChIInChI=1S/C19H24N2O6/c1-5-24-16-8-7-14(9-17(16)25-6-2)19(23)20-10-18(22)26-11-15-12(3)21-27-13(15)4/h7-9H,5-6,10-11H2,1-4H3,(H,20,23)
InChIKeyPOQUEAULEKOCNE-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.56
Rot. Bonds9

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

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate (PubChem CID 2477230) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate
PubChem CID2477230
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2c(C)noc2C)cc1OCC
InChIInChI=1S/C19H24N2O6/c1-5-24-16-8-7-14(9-17(16)25-6-2)19(23)20-10-18(22)26-11-15-12(3)21-27-13(15)4/h7-9H,5-6,10-11H2,1-4H3,(H,20,23)
InChIKeyPOQUEAULEKOCNE-UHFFFAOYSA-N
XLogP2.56
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate (CID 2477230) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCc2c(C)noc2C)cc1OCC.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate?
The InChIKey is POQUEAULEKOCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-5-24-16-8-7-14(9-17(16)25-6-2)19(23)20-10-18(22)26-11-15-12(3)21-27-13(15)4/h7-9H,5-6,10-11H2,1-4H3,(H,20,23).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate has a molecular weight of 376.41 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2477230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).