(4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H24FN5O3 — CID 86730283

IUPAC(4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccc(F)cc3)nc2)n1
InChIInChI=1S/C23H24FN5O3/c1-14(2)19-13-31-23(30)29(19)20-10-11-25-22(28-20)27-15(3)16-4-9-21(26-12-16)32-18-7-5-17(24)6-8-18/h4-12,14-15,19H,13H2,1-3H3,(H,25,27,28)/t15-,19+/m0/s1
InChIKeyXDAGIEVYBYSRCK-HNAYVOBHSA-N
MW437.48 g/mol
LogP4.96
Rot. Bonds7

About (4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 86730283) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID86730283
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name(4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccc(F)cc3)nc2)n1
InChIInChI=1S/C23H24FN5O3/c1-14(2)19-13-31-23(30)29(19)20-10-11-25-22(28-20)27-15(3)16-4-9-21(26-12-16)32-18-7-5-17(24)6-8-18/h4-12,14-15,19H,13H2,1-3H3,(H,25,27,28)/t15-,19+/m0/s1
InChIKeyXDAGIEVYBYSRCK-HNAYVOBHSA-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-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 86730283) is (4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccc(F)cc3)nc2)n1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is XDAGIEVYBYSRCK-HNAYVOBHSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-14(2)19-13-31-23(30)29(19)20-10-11-25-22(28-20)27-15(3)16-4-9-21(26-12-16)32-18-7-5-17(24)6-8-18/h4-12,14-15,19H,13H2,1-3H3,(H,25,27,28)/t15-,19+/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]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-[[(1S)-1-[6-(4-fluorophenoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 86730283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).