5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole

C39H30F2N10O2 — CID 159406513

About 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole

5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole (PubChem CID 159406513) has the molecular formula C39H30F2N10O2 and a molecular weight of 708.73 g/mol. Its IUPAC name is 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

• Compound Name: 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
• PubChem CID: 159406513
• Molecular Formula: C39H30F2N10O2
• Molecular Weight: 708.73 g/mol
• Exact Mass: 708.25
• IUPAC Name: 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
• SMILES: CC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21.CCn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
• InChI: InChI=1S/C20H16FN5O.C19H14FN5O/c1-12(2)26-17-11-14(5-8-16(17)23-24-26)19-18(13-3-6-15(21)7-4-13)22-20-25(19)9-10-27-20;1-2-25-16-11-13(5-8-15(16)22-23-25)18-17(12-3-6-14(20)7-4-12)21-19-24(18)9-10-26-19/h3-12H,1-2H3;3-11H,2H2,1H3
• InChIKey: LOAHHGCVBIKTAM-UHFFFAOYSA-N
• XLogP: 8.89
• TPSA: 122.30 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	708.73
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole?

The IUPAC name of 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole (CID 159406513) is 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole.

What is the SMILES notation for 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole?

The canonical SMILES for 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole is CC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21.CCn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21.

What is the InChIKey of 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole?

The InChIKey is LOAHHGCVBIKTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O.C19H14FN5O/c1-12(2)26-17-11-14(5-8-16(17)23-24-26)19-18(13-3-6-15(21)7-4-13)22-20-25(19)9-10-27-20;1-2-25-16-11-13(5-8-15(16)22-23-25)18-17(12-3-6-14(20)7-4-12)21-19-24(18)9-10-26-19/h3-12H,1-2H3;3-11H,2H2,1H3.

What are the key properties of 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole?

5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 708.73 g/mol, XLogP of 8.89, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 159406513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).