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

C13H23NO3 — CID 167362846

IUPACethyl 2-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate
SMILESCCOC(=O)C(C)C1(C)CC(C(C)(C)C)=NO1
InChIInChI=1S/C13H23NO3/c1-7-16-11(15)9(2)13(6)8-10(14-17-13)12(3,4)5/h9H,7-8H2,1-6H3
InChIKeyLGAOIPJGODNHAE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.77
Rot. Bonds3

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

ethyl 2-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate (PubChem CID 167362846) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 2-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate
PubChem CID167362846
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 2-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate
SMILESCCOC(=O)C(C)C1(C)CC(C(C)(C)C)=NO1
InChIInChI=1S/C13H23NO3/c1-7-16-11(15)9(2)13(6)8-10(14-17-13)12(3,4)5/h9H,7-8H2,1-6H3
InChIKeyLGAOIPJGODNHAE-UHFFFAOYSA-N
XLogP2.77
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate?
The IUPAC name of ethyl 2-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate (CID 167362846) is ethyl 2-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate.
What is the SMILES notation for ethyl 2-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate?
The canonical SMILES for ethyl 2-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate is CCOC(=O)C(C)C1(C)CC(C(C)(C)C)=NO1.
What is the InChIKey of ethyl 2-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate?
The InChIKey is LGAOIPJGODNHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-7-16-11(15)9(2)13(6)8-10(14-17-13)12(3,4)5/h9H,7-8H2,1-6H3.
What are the key properties of ethyl 2-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate?
ethyl 2-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate has a molecular weight of 241.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)propanoate is sourced from PubChem (CID 167362846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).