5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole

C12H17N3O2 — CID 84596714

IUPAC5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole
SMILESCC(C)(C)c1cnc(COCc2ncc[nH]2)o1
InChIInChI=1S/C12H17N3O2/c1-12(2,3)9-6-15-11(17-9)8-16-7-10-13-4-5-14-10/h4-6H,7-8H2,1-3H3,(H,13,14)
InChIKeyWFYZRIDGHLQIDJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.41
Rot. Bonds4

About 5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole

5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole (PubChem CID 84596714) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole
PubChem CID84596714
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole
SMILESCC(C)(C)c1cnc(COCc2ncc[nH]2)o1
InChIInChI=1S/C12H17N3O2/c1-12(2,3)9-6-15-11(17-9)8-16-7-10-13-4-5-14-10/h4-6H,7-8H2,1-3H3,(H,13,14)
InChIKeyWFYZRIDGHLQIDJ-UHFFFAOYSA-N
XLogP2.41
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole (CID 84596714) is 5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole is CC(C)(C)c1cnc(COCc2ncc[nH]2)o1.
What is the InChIKey of 5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole?
The InChIKey is WFYZRIDGHLQIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,3)9-6-15-11(17-9)8-16-7-10-13-4-5-14-10/h4-6H,7-8H2,1-3H3,(H,13,14).
What are the key properties of 5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole?
5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole has a molecular weight of 235.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(1H-imidazol-2-ylmethoxymethyl)-1,3-oxazole is sourced from PubChem (CID 84596714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).