1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one

C24H32F3N3O3S — CID 159669864

About 1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one

1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one (PubChem CID 159669864) has the molecular formula C24H32F3N3O3S and a molecular weight of 499.60 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one.

Molecular Properties

• Compound Name: 1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one
• PubChem CID: 159669864
• Molecular Formula: C24H32F3N3O3S
• Molecular Weight: 499.60 g/mol
• Exact Mass: 499.21
• IUPAC Name: 1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one
• SMILES: Cc1cc(OCC(=O)CC2CCC(CCN3CCc4sc(CCC(F)(F)F)nc4C3)CC2)no1
• InChI: InChI=1S/C24H32F3N3O3S/c1-16-12-22(29-33-16)32-15-19(31)13-18-4-2-17(3-5-18)7-10-30-11-8-21-20(14-30)28-23(34-21)6-9-24(25,26)27/h12,17-18H,2-11,13-15H2,1H3
• InChIKey: MTWCEHBRFCJERH-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 68.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.60
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one?

The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one (CID 159669864) is 1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one.

What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one?

The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one is Cc1cc(OCC(=O)CC2CCC(CCN3CCc4sc(CCC(F)(F)F)nc4C3)CC2)no1.

What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one?

The InChIKey is MTWCEHBRFCJERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O3S/c1-16-12-22(29-33-16)32-15-19(31)13-18-4-2-17(3-5-18)7-10-30-11-8-21-20(14-30)28-23(34-21)6-9-24(25,26)27/h12,17-18H,2-11,13-15H2,1H3.

What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one?

1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one has a molecular weight of 499.60 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propan-2-one is sourced from PubChem (CID 159669864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).