(4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one

C11H14ClN3O2 — CID 89489843

IUPAC(4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cnc(Cl)nc1N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C11H14ClN3O2/c1-6(2)8-5-17-11(16)15(8)9-7(3)4-13-10(12)14-9/h4,6,8H,5H2,1-3H3/t8-/m1/s1
InChIKeyBQNPUIUGVYJXIZ-MRVPVSSYSA-N
MW255.70 g/mol
LogP2.42
Rot. Bonds2

About (4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89489843) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is (4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89489843
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name(4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cnc(Cl)nc1N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C11H14ClN3O2/c1-6(2)8-5-17-11(16)15(8)9-7(3)4-13-10(12)14-9/h4,6,8H,5H2,1-3H3/t8-/m1/s1
InChIKeyBQNPUIUGVYJXIZ-MRVPVSSYSA-N
XLogP2.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 151579387
(4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130344752
3-[2-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 175058879
4-(2-chloro-5-methylpyrimidin-4-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 79072587
(4S)-3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730222
(4S)-3-[2-[1-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479370
(4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 89489980
1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 79075954
1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione
CID 175313862
4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123238043
(4S)-3-[6-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130356771
3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130285356

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89489843) is (4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1cnc(Cl)nc1N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is BQNPUIUGVYJXIZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-6(2)8-5-17-11(16)15(8)9-7(3)4-13-10(12)14-9/h4,6,8H,5H2,1-3H3/t8-/m1/s1.
What are the key properties of (4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 255.70 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).