(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C20H19F3N6O3S — CID 90451999

IUPAC(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cnc(-c2ccc(C(F)(F)F)nc2)s1
InChIInChI=1S/C20H19F3N6O3S/c1-10(14-8-26-17(33-14)12-3-4-15(25-7-12)20(21,22)23)27-18-24-6-5-16(28-18)29-13(11(2)30)9-32-19(29)31/h3-8,10-11,13,30H,9H2,1-2H3,(H,24,27,28)/t10-,11+,13+/m0/s1
InChIKeyYOXVWMIYZJNANU-DMDPSCGWSA-N
MW480.47 g/mol
LogP3.89
Rot. Bonds6

About (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90451999) has the molecular formula C20H19F3N6O3S and a molecular weight of 480.47 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90451999
Molecular FormulaC20H19F3N6O3S
Molecular Weight480.47 g/mol
Exact Mass480.12
IUPAC Name(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cnc(-c2ccc(C(F)(F)F)nc2)s1
InChIInChI=1S/C20H19F3N6O3S/c1-10(14-8-26-17(33-14)12-3-4-15(25-7-12)20(21,22)23)27-18-24-6-5-16(28-18)29-13(11(2)30)9-32-19(29)31/h3-8,10-11,13,30H,9H2,1-2H3,(H,24,27,28)/t10-,11+,13+/m0/s1
InChIKeyYOXVWMIYZJNANU-DMDPSCGWSA-N
XLogP3.89
TPSA113.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90451999) is (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cnc(-c2ccc(C(F)(F)F)nc2)s1.
What is the InChIKey of (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is YOXVWMIYZJNANU-DMDPSCGWSA-N. The full InChI is InChI=1S/C20H19F3N6O3S/c1-10(14-8-26-17(33-14)12-3-4-15(25-7-12)20(21,22)23)27-18-24-6-5-16(28-18)29-13(11(2)30)9-32-19(29)31/h3-8,10-11,13,30H,9H2,1-2H3,(H,24,27,28)/t10-,11+,13+/m0/s1.
What are the key properties of (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 480.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90451999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).