3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole

C15H22N2O2 — CID 59086721

IUPAC3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole
SMILESCCN1C(C)=COC1=CC=CC1OC=C(C)N1CC
InChIInChI=1S/C15H22N2O2/c1-5-16-12(3)10-18-14(16)8-7-9-15-17(6-2)13(4)11-19-15/h7-11,14H,5-6H2,1-4H3
InChIKeyFBLMZBZZNFKMHY-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.14
Rot. Bonds4

About 3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole

3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole (PubChem CID 59086721) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole
PubChem CID59086721
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole
SMILESCCN1C(C)=COC1=CC=CC1OC=C(C)N1CC
InChIInChI=1S/C15H22N2O2/c1-5-16-12(3)10-18-14(16)8-7-9-15-17(6-2)13(4)11-19-15/h7-11,14H,5-6H2,1-4H3
InChIKeyFBLMZBZZNFKMHY-UHFFFAOYSA-N
XLogP3.14
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole?
The IUPAC name of 3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole (CID 59086721) is 3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole.
What is the SMILES notation for 3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole?
The canonical SMILES for 3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole is CCN1C(C)=COC1=CC=CC1OC=C(C)N1CC.
What is the InChIKey of 3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole?
The InChIKey is FBLMZBZZNFKMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-16-12(3)10-18-14(16)8-7-9-15-17(6-2)13(4)11-19-15/h7-11,14H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole?
3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole has a molecular weight of 262.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[3-(3-ethyl-4-methyl-2H-1,3-oxazol-2-yl)prop-2-enylidene]-4-methyl-1,3-oxazole is sourced from PubChem (CID 59086721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).