[2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C26H34F3N5O4 — CID 123231120

About [2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 123231120) has the molecular formula C26H34F3N5O4 and a molecular weight of 537.58 g/mol. Its IUPAC name is [2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
• PubChem CID: 123231120
• Molecular Formula: C26H34F3N5O4
• Molecular Weight: 537.58 g/mol
• Exact Mass: 537.26
• IUPAC Name: [2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
• SMILES: COC1COCCC1NC1CC2CN(C3=NCCO3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
• InChI: InChI=1S/C26H34F3N5O4/c1-36-22-14-37-6-3-21(22)32-19-9-18-13-34(24-30-4-7-38-24)15-25(18,10-19)23(35)33-5-2-20-16(12-33)8-17(11-31-20)26(27,28)29/h8,11,18-19,21-22,32H,2-7,9-10,12-15H2,1H3
• InChIKey: FDSCXFGEKDZGBA-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 88.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.58
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The IUPAC name of [2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 123231120) is [2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

What is the SMILES notation for [2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The canonical SMILES for [2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is COC1COCCC1NC1CC2CN(C3=NCCO3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.

What is the InChIKey of [2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The InChIKey is FDSCXFGEKDZGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N5O4/c1-36-22-14-37-6-3-21(22)32-19-9-18-13-34(24-30-4-7-38-24)15-25(18,10-19)23(35)33-5-2-20-16(12-33)8-17(11-31-20)26(27,28)29/h8,11,18-19,21-22,32H,2-7,9-10,12-15H2,1H3.

What are the key properties of [2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

[2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 537.58 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4,5-dihydro-1,3-oxazol-2-yl)-5-[(3-methoxyoxan-4-yl)amino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 123231120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).