N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide

C27H30F2N4O2 — CID 134324691

About N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide

N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 134324691) has the molecular formula C27H30F2N4O2 and a molecular weight of 480.56 g/mol. Its IUPAC name is N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
• PubChem CID: 134324691
• Molecular Formula: C27H30F2N4O2
• Molecular Weight: 480.56 g/mol
• Exact Mass: 480.23
• IUPAC Name: N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
• SMILES: CCN(C(=O)c1nc(C)oc1C)C(C)C12CCC(c3cc(-c4c(F)cccc4F)nnc31)C2(C)C
• InChI: InChI=1S/C27H30F2N4O2/c1-7-33(25(34)23-14(2)35-16(4)30-23)15(3)27-12-11-18(26(27,5)6)17-13-21(31-32-24(17)27)22-19(28)9-8-10-20(22)29/h8-10,13,15,18H,7,11-12H2,1-6H3
• InChIKey: FUNUYIHAOSSJJD-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.56
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide (CID 134324691) is N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide is CCN(C(=O)c1nc(C)oc1C)C(C)C12CCC(c3cc(-c4c(F)cccc4F)nnc31)C2(C)C.

What is the InChIKey of N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide?

The InChIKey is FUNUYIHAOSSJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N4O2/c1-7-33(25(34)23-14(2)35-16(4)30-23)15(3)27-12-11-18(26(27,5)6)17-13-21(31-32-24(17)27)22-19(28)9-8-10-20(22)29/h8-10,13,15,18H,7,11-12H2,1-6H3.

What are the key properties of N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide?

N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 480.56 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]ethyl]-N-ethyl-2,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 134324691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).