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

C13H14N4O2 — CID 56862007

IUPAC3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole
SMILESCCc1cc(-c2nccn2Cc2cc(C)no2)on1
InChIInChI=1S/C13H14N4O2/c1-3-10-7-12(19-16-10)13-14-4-5-17(13)8-11-6-9(2)15-18-11/h4-7H,3,8H2,1-2H3
InChIKeyFHINEFQMOGTVER-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.45
Rot. Bonds4

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

3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole (PubChem CID 56862007) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole
PubChem CID56862007
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole
SMILESCCc1cc(-c2nccn2Cc2cc(C)no2)on1
InChIInChI=1S/C13H14N4O2/c1-3-10-7-12(19-16-10)13-14-4-5-17(13)8-11-6-9(2)15-18-11/h4-7H,3,8H2,1-2H3
InChIKeyFHINEFQMOGTVER-UHFFFAOYSA-N
XLogP2.45
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole (CID 56862007) is 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole is CCc1cc(-c2nccn2Cc2cc(C)no2)on1.
What is the InChIKey of 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole?
The InChIKey is FHINEFQMOGTVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-3-10-7-12(19-16-10)13-14-4-5-17(13)8-11-6-9(2)15-18-11/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole?
3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole has a molecular weight of 258.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 56862007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).