[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate

C14H22FNO4 — CID 102352689

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1C(=O)OCC1F
InChIInChI=1S/C14H22FNO4/c1-8(2)10-5-4-9(3)6-11(10)20-14(18)16-12(15)7-19-13(16)17/h8-12H,4-7H2,1-3H3/t9-,10+,11-,12?/m1/s1
InChIKeyLTQFIIDLMWSBEF-FBTJUVTCSA-N
MW287.33 g/mol
LogP3.33
Rot. Bonds2

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 102352689) has the molecular formula C14H22FNO4 and a molecular weight of 287.33 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID102352689
Molecular FormulaC14H22FNO4
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1C(=O)OCC1F
InChIInChI=1S/C14H22FNO4/c1-8(2)10-5-4-9(3)6-11(10)20-14(18)16-12(15)7-19-13(16)17/h8-12H,4-7H2,1-3H3/t9-,10+,11-,12?/m1/s1
InChIKeyLTQFIIDLMWSBEF-FBTJUVTCSA-N
XLogP3.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(4S,5R)-4-isopropyl-3-[(1R,3R,4S)-3-p-menthyloxycarbonyl]-5-trifluoromethyloxazolidin-2-one
CID 10714743
[(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
CID 22884800
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
CID 67658011
(5-methyl-2-propan-2-ylcyclohexyl) (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
CID 70286847
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
CID 70288939
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (4R,5S)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
CID 10619707
[(1R,2S,5R)-5-(iodomethyl)-2-propan-2-ylcyclohexyl] (4R,5S)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
CID 162576618
(5-Methyl-2-propan-2-ylcyclohexyl) pyrrolidine-1-carboxylate
CID 10377589
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate
CID 14709431
(4-Methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate
CID 139842715
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate
CID 142844210
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxo-1,3-oxazolidine-3-carboxylate
CID 102352688

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate (CID 102352689) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1C(=O)OCC1F.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is LTQFIIDLMWSBEF-FBTJUVTCSA-N. The full InChI is InChI=1S/C14H22FNO4/c1-8(2)10-5-4-9(3)6-11(10)20-14(18)16-12(15)7-19-13(16)17/h8-12H,4-7H2,1-3H3/t9-,10+,11-,12?/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 287.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 102352689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).