(4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one

C20H18Cl2FN5O4 — CID 90451925

IUPAC(4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESCC(Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cc(-c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C20H18Cl2FN5O4/c1-9(17-6-15(27-32-17)11-3-4-12(21)13(22)5-11)25-19-24-7-14(23)18(26-19)28-16(10(2)29)8-31-20(28)30/h3-7,9-10,16,29H,8H2,1-2H3,(H,24,25,26)/t9?,10-,16-/m1/s1
InChIKeyGBGXXLPKYDLGDN-MVHXDWSJSA-N
MW482.30 g/mol
LogP4.46
Rot. Bonds6

About (4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (PubChem CID 90451925) has the molecular formula C20H18Cl2FN5O4 and a molecular weight of 482.30 g/mol. Its IUPAC name is (4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
PubChem CID90451925
Molecular FormulaC20H18Cl2FN5O4
Molecular Weight482.30 g/mol
Exact Mass481.07
IUPAC Name(4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESCC(Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cc(-c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C20H18Cl2FN5O4/c1-9(17-6-15(27-32-17)11-3-4-12(21)13(22)5-11)25-19-24-7-14(23)18(26-19)28-16(10(2)29)8-31-20(28)30/h3-7,9-10,16,29H,8H2,1-2H3,(H,24,25,26)/t9?,10-,16-/m1/s1
InChIKeyGBGXXLPKYDLGDN-MVHXDWSJSA-N
XLogP4.46
TPSA113.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.30
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (CID 90451925) is (4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is CC(Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cc(-c2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of (4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is GBGXXLPKYDLGDN-MVHXDWSJSA-N. The full InChI is InChI=1S/C20H18Cl2FN5O4/c1-9(17-6-15(27-32-17)11-3-4-12(21)13(22)5-11)25-19-24-7-14(23)18(26-19)28-16(10(2)29)8-31-20(28)30/h3-7,9-10,16,29H,8H2,1-2H3,(H,24,25,26)/t9?,10-,16-/m1/s1.
What are the key properties of (4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
(4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 482.30 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethylamino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90451925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).