(4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

C13H18FN3O3 — CID 90415866

IUPAC(4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1c1ccnc(F)n1
InChIInChI=1S/C13H18FN3O3/c1-8(20-13(2,3)4)9-7-19-12(18)17(9)10-5-6-15-11(14)16-10/h5-6,8-9H,7H2,1-4H3/t8-,9-/m1/s1
InChIKeyCRAAZVXYKLLJBM-RKDXNWHRSA-N
MW283.30 g/mol
LogP2.14
Rot. Bonds3

About (4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

(4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 90415866) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is (4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
PubChem CID90415866
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name(4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1c1ccnc(F)n1
InChIInChI=1S/C13H18FN3O3/c1-8(20-13(2,3)4)9-7-19-12(18)17(9)10-5-6-15-11(14)16-10/h5-6,8-9H,7H2,1-4H3/t8-,9-/m1/s1
InChIKeyCRAAZVXYKLLJBM-RKDXNWHRSA-N
XLogP2.14
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90417311
(4R)-3-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 148525945
(4R)-3-[2-[[(1S)-1-[3-fluoro-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90414764
(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90414317
(4R)-3-[2-[(2R)-2-[3-methyl-4-(2-methylpropoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 149274141
(4R)-3-[2-[1-[3-(4-chloro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90414642
3-[2-[[(1S)-1-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90414224
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
(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
(4R)-3-[2-[[(1S)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90414746
3-[6-chloro-2-[[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90417339
(4R)-3-[5-fluoro-2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90451789

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (CID 90415866) is (4R)-3-(2-fluoropyrimidin-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-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is C[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1c1ccnc(F)n1.
What is the InChIKey of (4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is CRAAZVXYKLLJBM-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-8(20-13(2,3)4)9-7-19-12(18)17(9)10-5-6-15-11(14)16-10/h5-6,8-9H,7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
(4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 283.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-fluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90415866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).