(4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

C24H27Cl2N5O3S — CID 90416198

About (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 90416198) has the molecular formula C24H27Cl2N5O3S and a molecular weight of 536.49 g/mol. Its IUPAC name is (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 90416198
• Molecular Formula: C24H27Cl2N5O3S
• Molecular Weight: 536.49 g/mol
• Exact Mass: 535.12
• IUPAC Name: (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1
• InChI: InChI=1S/C24H27Cl2N5O3S/c1-13(21-29-18(12-35-21)16-7-6-15(25)10-17(16)26)28-22-27-9-8-20(30-22)31-19(11-33-23(31)32)14(2)34-24(3,4)5/h6-10,12-14,19H,11H2,1-5H3,(H,27,28,30)/t13-,14+,19+/m0/s1
• InChIKey: VPURNYNCQDSCRO-IQUTYRLHSA-N
• XLogP: 6.61
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.49
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (CID 90416198) is (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1.

What is the InChIKey of (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is VPURNYNCQDSCRO-IQUTYRLHSA-N. The full InChI is InChI=1S/C24H27Cl2N5O3S/c1-13(21-29-18(12-35-21)16-7-6-15(25)10-17(16)26)28-22-27-9-8-20(30-22)31-19(11-33-23(31)32)14(2)34-24(3,4)5/h6-10,12-14,19H,11H2,1-5H3,(H,27,28,30)/t13-,14+,19+/m0/s1.

What are the key properties of (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

(4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 536.49 g/mol, XLogP of 6.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90416198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).