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

C24H32FNO5 — CID 59659260

IUPAC2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid
SMILESCCCC(CCO[C@@H]1CCC[C@H](OCc2nc(-c3ccc(F)cc3)oc2C)C1)C(=O)O
InChIInChI=1S/C24H32FNO5/c1-3-5-18(24(27)28)12-13-29-20-6-4-7-21(14-20)30-15-22-16(2)31-23(26-22)17-8-10-19(25)11-9-17/h8-11,18,20-21H,3-7,12-15H2,1-2H3,(H,27,28)/t18?,20-,21+/m1/s1
InChIKeyDKDSZOOZDBVUAH-HBYOEVMUSA-N
MW433.52 g/mol
LogP5.52
Rot. Bonds11

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

2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid (PubChem CID 59659260) has the molecular formula C24H32FNO5 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid.

Molecular Properties

Compound Name2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid
PubChem CID59659260
Molecular FormulaC24H32FNO5
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC Name2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid
SMILESCCCC(CCO[C@@H]1CCC[C@H](OCc2nc(-c3ccc(F)cc3)oc2C)C1)C(=O)O
InChIInChI=1S/C24H32FNO5/c1-3-5-18(24(27)28)12-13-29-20-6-4-7-21(14-20)30-15-22-16(2)31-23(26-22)17-8-10-19(25)11-9-17/h8-11,18,20-21H,3-7,12-15H2,1-2H3,(H,27,28)/t18?,20-,21+/m1/s1
InChIKeyDKDSZOOZDBVUAH-HBYOEVMUSA-N
XLogP5.52
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate
CID 58763400
5-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]-1,3-thiazolidine-2,4-dione
CID 58763409
2-[[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]aniline
CID 89165886
2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid
CID 58934194
ethyl 2-ethyl-4-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxybut-2-enoate
CID 66889113
2-[[(1S,3R)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid
CID 69244491
3-[(1S,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]propanal
CID 142936496
2-ethoxy-3-[(1R,3S)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]cyclohexyl]oxypropanoic acid
CID 59659291
2-[[(1S,3R)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfanyl]heptanoic acid
CID 69243582
[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] 3,5-dinitrobenzoate
CID 87937702
2-methoxy-3-[(1R,3S)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]cyclohexyl]oxypropanoic acid
CID 59659183
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 2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid?
The IUPAC name of 2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid (CID 59659260) is 2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid.
What is the SMILES notation for 2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid?
The canonical SMILES for 2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid is CCCC(CCO[C@@H]1CCC[C@H](OCc2nc(-c3ccc(F)cc3)oc2C)C1)C(=O)O.
What is the InChIKey of 2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid?
The InChIKey is DKDSZOOZDBVUAH-HBYOEVMUSA-N. The full InChI is InChI=1S/C24H32FNO5/c1-3-5-18(24(27)28)12-13-29-20-6-4-7-21(14-20)30-15-22-16(2)31-23(26-22)17-8-10-19(25)11-9-17/h8-11,18,20-21H,3-7,12-15H2,1-2H3,(H,27,28)/t18?,20-,21+/m1/s1.
What are the key properties of 2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid?
2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid has a molecular weight of 433.52 g/mol, XLogP of 5.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pentanoic acid is sourced from PubChem (CID 59659260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).