(4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one

C27H30ClN5O4 — CID 118028882

About (4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one

(4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 118028882) has the molecular formula C27H30ClN5O4 and a molecular weight of 524.02 g/mol. Its IUPAC name is (4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 118028882
• Molecular Formula: C27H30ClN5O4
• Molecular Weight: 524.02 g/mol
• Exact Mass: 523.20
• IUPAC Name: (4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one
• SMILES: COc1ncc(Cl)cc1-c1cnc(N2CCOCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C)c2)[C@@H]1C
• InChI: InChI=1S/C27H30ClN5O4/c1-16-9-17(2)11-19(10-16)24-18(3)33(27(34)37-24)15-23-22(21-12-20(28)13-29-25(21)35-4)14-30-26(31-23)32-5-7-36-8-6-32/h9-14,18,24H,5-8,15H2,1-4H3/t18-,24-/m0/s1
• InChIKey: CHQTWHRWZGRMCQ-UUOWRZLLSA-N
• XLogP: 4.74
• TPSA: 89.91 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.02
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one (CID 118028882) is (4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one is COc1ncc(Cl)cc1-c1cnc(N2CCOCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C)c2)[C@@H]1C.

What is the InChIKey of (4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one?

The InChIKey is CHQTWHRWZGRMCQ-UUOWRZLLSA-N. The full InChI is InChI=1S/C27H30ClN5O4/c1-16-9-17(2)11-19(10-16)24-18(3)33(27(34)37-24)15-23-22(21-12-20(28)13-29-25(21)35-4)14-30-26(31-23)32-5-7-36-8-6-32/h9-14,18,24H,5-8,15H2,1-4H3/t18-,24-/m0/s1.

What are the key properties of (4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one?

(4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 524.02 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-3-[[5-(5-chloro-2-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 118028882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).