(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

C25H30ClN5O3S — CID 90451830

IUPAC(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)nc(N[C@@H](C)c2ncc(-c3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C25H30ClN5O3S/c1-14-11-21(31-19(13-33-24(31)32)16(3)34-25(4,5)6)30-23(28-14)29-15(2)22-27-12-20(35-22)17-7-9-18(26)10-8-17/h7-12,15-16,19H,13H2,1-6H3,(H,28,29,30)/t15-,16+,19+/m0/s1
InChIKeyPXGPMBKDUNNIRI-FRQCXROJSA-N
MW516.07 g/mol
LogP6.26
Rot. Bonds7

About (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 90451830) has the molecular formula C25H30ClN5O3S and a molecular weight of 516.07 g/mol. Its IUPAC name is (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
PubChem CID90451830
Molecular FormulaC25H30ClN5O3S
Molecular Weight516.07 g/mol
Exact Mass515.18
IUPAC Name(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)nc(N[C@@H](C)c2ncc(-c3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C25H30ClN5O3S/c1-14-11-21(31-19(13-33-24(31)32)16(3)34-25(4,5)6)30-23(28-14)29-15(2)22-27-12-20(35-22)17-7-9-18(26)10-8-17/h7-12,15-16,19H,13H2,1-6H3,(H,28,29,30)/t15-,16+,19+/m0/s1
InChIKeyPXGPMBKDUNNIRI-FRQCXROJSA-N
XLogP6.26
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.07
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (CID 90451830) is (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is Cc1cc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)nc(N[C@@H](C)c2ncc(-c3ccc(Cl)cc3)s2)n1.
What is the InChIKey of (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is PXGPMBKDUNNIRI-FRQCXROJSA-N. The full InChI is InChI=1S/C25H30ClN5O3S/c1-14-11-21(31-19(13-33-24(31)32)16(3)34-25(4,5)6)30-23(28-14)29-15(2)22-27-12-20(35-22)17-7-9-18(26)10-8-17/h7-12,15-16,19H,13H2,1-6H3,(H,28,29,30)/t15-,16+,19+/m0/s1.
What are the key properties of (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 516.07 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90451830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).