5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

C30H33F6N5O3 — CID 123191724

About 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 123191724) has the molecular formula C30H33F6N5O3 and a molecular weight of 625.61 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 123191724
• Molecular Formula: C30H33F6N5O3
• Molecular Weight: 625.61 g/mol
• Exact Mass: 625.25
• IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
• SMILES: CCN(c1ncc(-c2c(C)noc2C)nc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C)C1CCCCC1
• InChI: InChI=1S/C30H33F6N5O3/c1-5-40(22-9-7-6-8-10-22)27-24(38-23(14-37-27)25-16(2)39-44-18(25)4)15-41-17(3)26(43-28(41)42)19-11-20(29(31,32)33)13-21(12-19)30(34,35)36/h11-14,17,22,26H,5-10,15H2,1-4H3
• InChIKey: GDKDCPHAZANYIK-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 84.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.61
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 123191724) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is CCN(c1ncc(-c2c(C)noc2C)nc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C)C1CCCCC1.

What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The InChIKey is GDKDCPHAZANYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F6N5O3/c1-5-40(22-9-7-6-8-10-22)27-24(38-23(14-37-27)25-16(2)39-44-18(25)4)15-41-17(3)26(43-28(41)42)19-11-20(29(31,32)33)13-21(12-19)30(34,35)36/h11-14,17,22,26H,5-10,15H2,1-4H3.

What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 625.61 g/mol, XLogP of 8.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[cyclohexyl(ethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123191724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).