(4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one

C21H19ClF2N4O3 — CID 147389993

About (4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one (PubChem CID 147389993) has the molecular formula C21H19ClF2N4O3 and a molecular weight of 448.86 g/mol. Its IUPAC name is (4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
• PubChem CID: 147389993
• Molecular Formula: C21H19ClF2N4O3
• Molecular Weight: 448.86 g/mol
• Exact Mass: 448.11
• IUPAC Name: (4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Cc1ncc(F)c(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1cc(-c2ccc(Cl)cc2)on1
• InChI: InChI=1S/C21H19ClF2N4O3/c1-11(16-8-18(31-27-16)13-3-5-14(22)6-4-13)7-19-25-9-15(24)20(26-19)28-17(12(2)23)10-30-21(28)29/h3-6,8-9,11-12,17H,7,10H2,1-2H3/t11-,12+,17-/m1/s1
• InChIKey: DMRFDVZUBIYMJM-BWACUDIHSA-N
• XLogP: 4.95
• TPSA: 81.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.86
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one (CID 147389993) is (4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one is C[C@H](Cc1ncc(F)c(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1cc(-c2ccc(Cl)cc2)on1.

What is the InChIKey of (4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?

The InChIKey is DMRFDVZUBIYMJM-BWACUDIHSA-N. The full InChI is InChI=1S/C21H19ClF2N4O3/c1-11(16-8-18(31-27-16)13-3-5-14(22)6-4-13)7-19-25-9-15(24)20(26-19)28-17(12(2)23)10-30-21(28)29/h3-6,8-9,11-12,17H,7,10H2,1-2H3/t11-,12+,17-/m1/s1.

What are the key properties of (4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?

(4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one has a molecular weight of 448.86 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 147389993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).