(4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

C24H27ClFN5O4 — CID 90416257

About (4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 90416257) has the molecular formula C24H27ClFN5O4 and a molecular weight of 503.96 g/mol. Its IUPAC name is (4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 90416257
• Molecular Formula: C24H27ClFN5O4
• Molecular Weight: 503.96 g/mol
• Exact Mass: 503.17
• IUPAC Name: (4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• SMILES: CC(Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ncc(-c2ccc(Cl)cc2)o1
• InChI: InChI=1S/C24H27ClFN5O4/c1-13(21-27-11-19(34-21)15-6-8-16(25)9-7-15)29-22-28-10-17(26)20(30-22)31-18(12-33-23(31)32)14(2)35-24(3,4)5/h6-11,13-14,18H,12H2,1-5H3,(H,28,29,30)/t13?,14-,18-/m1/s1
• InChIKey: IHYYHUMBFQYNAV-JDPNFYKBSA-N
• XLogP: 5.63
• TPSA: 102.61 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	503.96
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (CID 90416257) is (4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-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-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is CC(Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ncc(-c2ccc(Cl)cc2)o1.

What is the InChIKey of (4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is IHYYHUMBFQYNAV-JDPNFYKBSA-N. The full InChI is InChI=1S/C24H27ClFN5O4/c1-13(21-27-11-19(34-21)15-6-8-16(25)9-7-15)29-22-28-10-17(26)20(30-22)31-18(12-33-23(31)32)14(2)35-24(3,4)5/h6-11,13-14,18H,12H2,1-5H3,(H,28,29,30)/t13?,14-,18-/m1/s1.

What are the key properties of (4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

(4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 503.96 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[2-[1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90416257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).