3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole

C15H17N5O — CID 56861858

IUPAC3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCCc1cc(Cn2ccnc2-c2ccnc(CC)n2)on1
InChIInChI=1S/C15H17N5O/c1-3-11-9-12(21-19-11)10-20-8-7-17-15(20)13-5-6-16-14(4-2)18-13/h5-9H,3-4,10H2,1-2H3
InChIKeyMLCFFBDIJZVLPI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.50
Rot. Bonds5

About 3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole

3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 56861858) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID56861858
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCCc1cc(Cn2ccnc2-c2ccnc(CC)n2)on1
InChIInChI=1S/C15H17N5O/c1-3-11-9-12(21-19-11)10-20-8-7-17-15(20)13-5-6-16-14(4-2)18-13/h5-9H,3-4,10H2,1-2H3
InChIKeyMLCFFBDIJZVLPI-UHFFFAOYSA-N
XLogP2.50
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole (CID 56861858) is 3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole is CCc1cc(Cn2ccnc2-c2ccnc(CC)n2)on1.
What is the InChIKey of 3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is MLCFFBDIJZVLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-11-9-12(21-19-11)10-20-8-7-17-15(20)13-5-6-16-14(4-2)18-13/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 283.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 56861858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).