5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole

C23H25F3N4O — CID 146507525

About 5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole

5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole (PubChem CID 146507525) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole
• PubChem CID: 146507525
• Molecular Formula: C23H25F3N4O
• Molecular Weight: 430.47 g/mol
• Exact Mass: 430.20
• IUPAC Name: 5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole
• SMILES: CC[C@@]12C=C(C3ON=C(C(F)(F)F)N3C)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42
• InChI: InChI=1S/C23H25F3N4O/c1-3-22-10-6-11-29-12-9-15-14-7-4-5-8-16(14)30(18(15)19(22)29)17(13-22)20-28(2)21(27-31-20)23(24,25)26/h4-5,7-8,13,19-20H,3,6,9-12H2,1-2H3/t19-,20?,22+/m1/s1
• InChIKey: FFBYGNMMZHFGSN-OBIJOXKXSA-N
• XLogP: 4.75
• TPSA: 33.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.47
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole?

The IUPAC name of 5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole (CID 146507525) is 5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole.

What is the SMILES notation for 5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole?

The canonical SMILES for 5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole is CC[C@@]12C=C(C3ON=C(C(F)(F)F)N3C)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42.

What is the InChIKey of 5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole?

The InChIKey is FFBYGNMMZHFGSN-OBIJOXKXSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-3-22-10-6-11-29-12-9-15-14-7-4-5-8-16(14)30(18(15)19(22)29)17(13-22)20-28(2)21(27-31-20)23(24,25)26/h4-5,7-8,13,19-20H,3,6,9-12H2,1-2H3/t19-,20?,22+/m1/s1.

What are the key properties of 5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole?

5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole has a molecular weight of 430.47 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-3-(trifluoromethyl)-5H-1,2,4-oxadiazole is sourced from PubChem (CID 146507525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).