(4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H24FN5O3 — CID 90347617

IUPAC(4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccc(Oc2cccnc2)c(F)c1
InChIInChI=1S/C23H24FN5O3/c1-14(2)19-13-31-23(30)29(19)21-8-10-26-22(28-21)27-15(3)16-6-7-20(18(24)11-16)32-17-5-4-9-25-12-17/h4-12,14-15,19H,13H2,1-3H3,(H,26,27,28)/t15?,19-/m1/s1
InChIKeyWRHUJMBXYHYKGG-XCWJXAQQSA-N
MW437.48 g/mol
LogP4.96
Rot. Bonds7

About (4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 90347617) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is (4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID90347617
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name(4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccc(Oc2cccnc2)c(F)c1
InChIInChI=1S/C23H24FN5O3/c1-14(2)19-13-31-23(30)29(19)21-8-10-26-22(28-21)27-15(3)16-6-7-20(18(24)11-16)32-17-5-4-9-25-12-17/h4-12,14-15,19H,13H2,1-3H3,(H,26,27,28)/t15?,19-/m1/s1
InChIKeyWRHUJMBXYHYKGG-XCWJXAQQSA-N
XLogP4.96
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 90347617) is (4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccc(Oc2cccnc2)c(F)c1.
What is the InChIKey of (4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is WRHUJMBXYHYKGG-XCWJXAQQSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-14(2)19-13-31-23(30)29(19)21-8-10-26-22(28-21)27-15(3)16-6-7-20(18(24)11-16)32-17-5-4-9-25-12-17/h4-12,14-15,19H,13H2,1-3H3,(H,26,27,28)/t15?,19-/m1/s1.
What are the key properties of (4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 437.48 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90347617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).