ethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate

C13H23NO3 — CID 167362831

IUPACethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate
SMILESCCOC(=O)C(C)(C)C1(C)CC(C(C)C)=NO1
InChIInChI=1S/C13H23NO3/c1-7-16-11(15)12(4,5)13(6)8-10(9(2)3)14-17-13/h9H,7-8H2,1-6H3
InChIKeyGIUPQCFZJXNHMA-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.77
Rot. Bonds4

About ethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate

ethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate (PubChem CID 167362831) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate
PubChem CID167362831
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate
SMILESCCOC(=O)C(C)(C)C1(C)CC(C(C)C)=NO1
InChIInChI=1S/C13H23NO3/c1-7-16-11(15)12(4,5)13(6)8-10(9(2)3)14-17-13/h9H,7-8H2,1-6H3
InChIKeyGIUPQCFZJXNHMA-UHFFFAOYSA-N
XLogP2.77
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate (CID 167362831) is ethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate is CCOC(=O)C(C)(C)C1(C)CC(C(C)C)=NO1.
What is the InChIKey of ethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate?
The InChIKey is GIUPQCFZJXNHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-7-16-11(15)12(4,5)13(6)8-10(9(2)3)14-17-13/h9H,7-8H2,1-6H3.
What are the key properties of ethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate?
ethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate has a molecular weight of 241.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(5-methyl-3-propan-2-yl-4H-1,2-oxazol-5-yl)propanoate is sourced from PubChem (CID 167362831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).