[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate

C19H22FNO4 — CID 58763400

IUPAC[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCC[C@H](OCc2nc(-c3ccc(F)cc3)oc2C)C1
InChIInChI=1S/C19H22FNO4/c1-12-18(21-19(24-12)14-6-8-15(20)9-7-14)11-23-16-4-3-5-17(10-16)25-13(2)22/h6-9,16-17H,3-5,10-11H2,1-2H3/t16-,17+/m0/s1
InChIKeySALOVNZYDJVYEJ-DLBZAZTESA-N
MW347.39 g/mol
LogP4.18
Rot. Bonds5

About [(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate

[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate (PubChem CID 58763400) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is [(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate
PubChem CID58763400
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCC[C@H](OCc2nc(-c3ccc(F)cc3)oc2C)C1
InChIInChI=1S/C19H22FNO4/c1-12-18(21-19(24-12)14-6-8-15(20)9-7-14)11-23-16-4-3-5-17(10-16)25-13(2)22/h6-9,16-17H,3-5,10-11H2,1-2H3/t16-,17+/m0/s1
InChIKeySALOVNZYDJVYEJ-DLBZAZTESA-N
XLogP4.18
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate with MolForge

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Related Compounds

[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] 3,5-dinitrobenzoate
CID 87937702
3-[(1S,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]propanal
CID 142936496
2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid
CID 59659260
[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] 3-nitrobenzoate
CID 10049609
2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline
CID 89165886
ethyl 2-ethyl-4-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxybut-2-enoate
CID 66889113
5-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]-1,3-thiazolidine-2,4-dione
CID 58763409
1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one
CID 142936134
methyl 3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexane-1-carboxylate
CID 58934129
2-(4-fluorophenyl)-4-[[(1S,3R)-3-[(2-methoxy-5-nitrophenyl)methoxy]cyclohexyl]oxymethyl]-5-methyl-1,3-oxazole
CID 68858990
2-(4-fluorophenyl)-5-methyl-4-[[3-[[3-(2H-tetrazol-5-yl)phenyl]methoxy]cyclohexyl]oxymethyl]-1,3-oxazole
CID 58763381
2-methyl-6-[[(1R,3S)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid
CID 59997883

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate?
The IUPAC name of [(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate (CID 58763400) is [(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate.
What is the SMILES notation for [(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate?
The canonical SMILES for [(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate is CC(=O)O[C@@H]1CCC[C@H](OCc2nc(-c3ccc(F)cc3)oc2C)C1.
What is the InChIKey of [(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate?
The InChIKey is SALOVNZYDJVYEJ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H22FNO4/c1-12-18(21-19(24-12)14-6-8-15(20)9-7-14)11-23-16-4-3-5-17(10-16)25-13(2)22/h6-9,16-17H,3-5,10-11H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of [(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate?
[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate has a molecular weight of 347.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate is sourced from PubChem (CID 58763400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).