ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine]

C29H35FN4O2 — CID 143987979

About ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine]

ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine] (PubChem CID 143987979) has the molecular formula C29H35FN4O2 and a molecular weight of 490.62 g/mol. Its IUPAC name is ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine].

Molecular Properties

• Compound Name: ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine]
• PubChem CID: 143987979
• Molecular Formula: C29H35FN4O2
• Molecular Weight: 490.62 g/mol
• Exact Mass: 490.27
• IUPAC Name: ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine]
• SMILES: C=Cc1ccc(-n2cnc(C)c2)c(OC)c1.CC.Fc1ccc2c(c1)C1(CC2)ON=C2CCCCN21
• InChI: InChI=1S/C14H15FN2O.C13H14N2O.C2H6/c15-11-5-4-10-6-7-14(12(10)9-11)17-8-2-1-3-13(17)16-18-14;1-4-11-5-6-12(13(7-11)16-3)15-8-10(2)14-9-15;1-2/h4-5,9H,1-3,6-8H2;4-9H,1H2,2-3H3;1-2H3
• InChIKey: YPOYUGXZSGCJRP-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 51.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.62
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine]?

The IUPAC name of ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine] (CID 143987979) is ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine].

What is the SMILES notation for ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine]?

The canonical SMILES for ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine] is C=Cc1ccc(-n2cnc(C)c2)c(OC)c1.CC.Fc1ccc2c(c1)C1(CC2)ON=C2CCCCN21.

What is the InChIKey of ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine]?

The InChIKey is YPOYUGXZSGCJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O.C13H14N2O.C2H6/c15-11-5-4-10-6-7-14(12(10)9-11)17-8-2-1-3-13(17)16-18-14;1-4-11-5-6-12(13(7-11)16-3)15-8-10(2)14-9-15;1-2/h4-5,9H,1-3,6-8H2;4-9H,1H2,2-3H3;1-2H3.

What are the key properties of ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine]?

ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine] has a molecular weight of 490.62 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine] is sourced from PubChem (CID 143987979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).