ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate

C13H20N2O4 — CID 79208593

IUPACethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1oc(C)nc1C)C(C)C
InChIInChI=1S/C13H20N2O4/c1-6-18-11(16)7-15(8(2)3)13(17)12-9(4)14-10(5)19-12/h8H,6-7H2,1-5H3
InChIKeyVWMYIDWYIGEUDZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.71
Rot. Bonds5

About ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate

ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate (PubChem CID 79208593) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate
PubChem CID79208593
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1oc(C)nc1C)C(C)C
InChIInChI=1S/C13H20N2O4/c1-6-18-11(16)7-15(8(2)3)13(17)12-9(4)14-10(5)19-12/h8H,6-7H2,1-5H3
InChIKeyVWMYIDWYIGEUDZ-UHFFFAOYSA-N
XLogP1.71
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate (CID 79208593) is ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1oc(C)nc1C)C(C)C.
What is the InChIKey of ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is VWMYIDWYIGEUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-6-18-11(16)7-15(8(2)3)13(17)12-9(4)14-10(5)19-12/h8H,6-7H2,1-5H3.
What are the key properties of ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate?
ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 268.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 79208593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).