2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C35H40ClF3N4O4 — CID 162064055

About 2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 162064055) has the molecular formula C35H40ClF3N4O4 and a molecular weight of 673.18 g/mol. Its IUPAC name is 2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 162064055
• Molecular Formula: C35H40ClF3N4O4
• Molecular Weight: 673.18 g/mol
• Exact Mass: 672.27
• IUPAC Name: 2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• SMILES: Cc1cc([C@H]2OC(=O)N(Cc3cc(C)cnc3N(C3CCC3)C3CCOCC3)[C@H]2C)cc(C(F)(F)F)c1.Cc1cnc(Cl)c(C=O)c1
• InChI: InChI=1S/C28H34F3N3O3.C7H6ClNO/c1-17-11-20(14-22(13-17)28(29,30)31)25-19(3)33(27(35)37-25)16-21-12-18(2)15-32-26(21)34(23-5-4-6-23)24-7-9-36-10-8-24;1-5-2-6(4-10)7(8)9-3-5/h11-15,19,23-25H,4-10,16H2,1-3H3;2-4H,1H3/t19-,25-;/m0./s1
• InChIKey: ZAFJNBUXNUQOLF-FEINMWSASA-N
• XLogP: 8.19
• TPSA: 84.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.18
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of 2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 162064055) is 2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is Cc1cc([C@H]2OC(=O)N(Cc3cc(C)cnc3N(C3CCC3)C3CCOCC3)[C@H]2C)cc(C(F)(F)F)c1.Cc1cnc(Cl)c(C=O)c1.

What is the InChIKey of 2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The InChIKey is ZAFJNBUXNUQOLF-FEINMWSASA-N. The full InChI is InChI=1S/C28H34F3N3O3.C7H6ClNO/c1-17-11-20(14-22(13-17)28(29,30)31)25-19(3)33(27(35)37-25)16-21-12-18(2)15-32-26(21)34(23-5-4-6-23)24-7-9-36-10-8-24;1-5-2-6(4-10)7(8)9-3-5/h11-15,19,23-25H,4-10,16H2,1-3H3;2-4H,1H3/t19-,25-;/m0./s1.

What are the key properties of 2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 673.18 g/mol, XLogP of 8.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162064055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).