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

C30H33F6N5O3 — CID 140700878

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

5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[(3-cyclopentylpropylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 140700878) 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-[(3-cyclopentylpropylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[(3-cyclopentylpropylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one
• PubChem CID: 140700878
• Molecular Formula: C30H33F6N5O3
• Molecular Weight: 625.61 g/mol
• Exact Mass: 625.25
• IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[(3-cyclopentylpropylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one
• SMILES: Cc1noc(C)c1-c1cnc(CN2CC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC2=O)c(CNCCCC2CCCC2)n1
• InChI: InChI=1S/C30H33F6N5O3/c1-17-27(18(2)44-40-17)24-14-38-25(23(39-24)13-37-9-5-8-19-6-3-4-7-19)15-41-16-26(43-28(41)42)20-10-21(29(31,32)33)12-22(11-20)30(34,35)36/h10-12,14,19,26,37H,3-9,13,15-16H2,1-2H3
• InChIKey: MSGPLWNQWFWKDF-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.61
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[(3-cyclopentylpropylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one (CID 140700878) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[(3-cyclopentylpropylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[(3-cyclopentylpropylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one is Cc1noc(C)c1-c1cnc(CN2CC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC2=O)c(CNCCCC2CCCC2)n1.

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

The InChIKey is MSGPLWNQWFWKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F6N5O3/c1-17-27(18(2)44-40-17)24-14-38-25(23(39-24)13-37-9-5-8-19-6-3-4-7-19)15-41-16-26(43-28(41)42)20-10-21(29(31,32)33)12-22(11-20)30(34,35)36/h10-12,14,19,26,37H,3-9,13,15-16H2,1-2H3.

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

5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[(3-cyclopentylpropylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 625.61 g/mol, XLogP of 7.54, 10 rotatable bonds, 1 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-[(3-cyclopentylpropylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 140700878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).