2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide

C13H20N2O2 — CID 84575455

IUPAC2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1oc(C(C)(C)C)nc1C
InChIInChI=1S/C13H20N2O2/c1-6-7-14-11(16)8-10-9(2)15-12(17-10)13(3,4)5/h6H,1,7-8H2,2-5H3,(H,14,16)
InChIKeyPLTKNERTMAVUJZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.13
Rot. Bonds4

About 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide

2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide (PubChem CID 84575455) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide
PubChem CID84575455
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1oc(C(C)(C)C)nc1C
InChIInChI=1S/C13H20N2O2/c1-6-7-14-11(16)8-10-9(2)15-12(17-10)13(3,4)5/h6H,1,7-8H2,2-5H3,(H,14,16)
InChIKeyPLTKNERTMAVUJZ-UHFFFAOYSA-N
XLogP2.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide (CID 84575455) is 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cc1oc(C(C)(C)C)nc1C.
What is the InChIKey of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide?
The InChIKey is PLTKNERTMAVUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-6-7-14-11(16)8-10-9(2)15-12(17-10)13(3,4)5/h6H,1,7-8H2,2-5H3,(H,14,16).
What are the key properties of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide?
2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide has a molecular weight of 236.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 84575455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).