ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate

C13H19NO4 — CID 102525599

IUPACethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(C2CCOCC2)oc1C
InChIInChI=1S/C13H19NO4/c1-3-17-12(15)8-11-9(2)18-13(14-11)10-4-6-16-7-5-10/h10H,3-8H2,1-2H3
InChIKeySSIDWTIUUYPBQW-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.98
Rot. Bonds4

About ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate

ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate (PubChem CID 102525599) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate
PubChem CID102525599
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(C2CCOCC2)oc1C
InChIInChI=1S/C13H19NO4/c1-3-17-12(15)8-11-9(2)18-13(14-11)10-4-6-16-7-5-10/h10H,3-8H2,1-2H3
InChIKeySSIDWTIUUYPBQW-UHFFFAOYSA-N
XLogP1.98
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate?
The IUPAC name of ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate (CID 102525599) is ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate is CCOC(=O)Cc1nc(C2CCOCC2)oc1C.
What is the InChIKey of ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate?
The InChIKey is SSIDWTIUUYPBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-17-12(15)8-11-9(2)18-13(14-11)10-4-6-16-7-5-10/h10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate?
ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate has a molecular weight of 253.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 102525599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).