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

C20H19Cl2N5O3S — CID 90451889

IUPAC(4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C20H19Cl2N5O3S/c1-10(18-25-15(9-31-18)13-4-3-12(21)7-14(13)22)24-19-23-6-5-17(26-19)27-16(11(2)28)8-30-20(27)29/h3-7,9-11,16,28H,8H2,1-2H3,(H,23,24,26)/t10-,11+,16+/m0/s1
InChIKeyXOQPIDDDNUXVGQ-LYOVBCGYSA-N
MW480.38 g/mol
LogP4.79
Rot. Bonds6

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

(4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (PubChem CID 90451889) has the molecular formula C20H19Cl2N5O3S and a molecular weight of 480.38 g/mol. Its IUPAC name is (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
PubChem CID90451889
Molecular FormulaC20H19Cl2N5O3S
Molecular Weight480.38 g/mol
Exact Mass479.06
IUPAC Name(4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C20H19Cl2N5O3S/c1-10(18-25-15(9-31-18)13-4-3-12(21)7-14(13)22)24-19-23-6-5-17(26-19)27-16(11(2)28)8-30-20(27)29/h3-7,9-11,16,28H,8H2,1-2H3,(H,23,24,26)/t10-,11+,16+/m0/s1
InChIKeyXOQPIDDDNUXVGQ-LYOVBCGYSA-N
XLogP4.79
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.38
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

(4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90416198
(4S)-3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730222
(4R)-3-[2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90454410
3-[2-[[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90413840
(4R)-3-[2-[[(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90416053
(4S)-3-[2-[1-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479370
4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123238043
(4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130274214
(4R)-3-[2-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90451919
3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479204
(4S)-3-[2-[1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 146221941
(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one
CID 90454338

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (CID 90451889) is (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is XOQPIDDDNUXVGQ-LYOVBCGYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O3S/c1-10(18-25-15(9-31-18)13-4-3-12(21)7-14(13)22)24-19-23-6-5-17(26-19)27-16(11(2)28)8-30-20(27)29/h3-7,9-11,16,28H,8H2,1-2H3,(H,23,24,26)/t10-,11+,16+/m0/s1.
What are the key properties of (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
(4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 480.38 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[[(1S)-1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90451889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).