5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole

C14H17N3O — CID 58550032

IUPAC5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole
SMILESC=Cc1nc(C(C)(C)C)ncc1-c1cc(C)no1
InChIInChI=1S/C14H17N3O/c1-6-11-10(12-7-9(2)17-18-12)8-15-13(16-11)14(3,4)5/h6-8H,1H2,2-5H3
InChIKeyRYIVOPPSXINOMU-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.38
Rot. Bonds2

About 5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole

5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole (PubChem CID 58550032) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole
PubChem CID58550032
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole
SMILESC=Cc1nc(C(C)(C)C)ncc1-c1cc(C)no1
InChIInChI=1S/C14H17N3O/c1-6-11-10(12-7-9(2)17-18-12)8-15-13(16-11)14(3,4)5/h6-8H,1H2,2-5H3
InChIKeyRYIVOPPSXINOMU-UHFFFAOYSA-N
XLogP3.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole (CID 58550032) is 5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole is C=Cc1nc(C(C)(C)C)ncc1-c1cc(C)no1.
What is the InChIKey of 5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole?
The InChIKey is RYIVOPPSXINOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-6-11-10(12-7-9(2)17-18-12)8-15-13(16-11)14(3,4)5/h6-8H,1H2,2-5H3.
What are the key properties of 5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole?
5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole has a molecular weight of 243.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 58550032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).