2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid

C24H33NO5 — CID 11589732

IUPAC2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
SMILESCCc1oc(-c2ccc(C)cc2)nc1CO[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1
InChIInChI=1S/C24H33NO5/c1-5-21-20(25-22(30-21)18-11-9-16(2)10-12-18)15-28-19-8-6-7-17(13-19)14-29-24(3,4)23(26)27/h9-12,17,19H,5-8,13-15H2,1-4H3,(H,26,27)/t17-,19+/m1/s1
InChIKeyORDFMOKPZVBADC-MJGOQNOKSA-N
MW415.53 g/mol
LogP5.17
Rot. Bonds9

About 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid

2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid (PubChem CID 11589732) has the molecular formula C24H33NO5 and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
PubChem CID11589732
Molecular FormulaC24H33NO5
Molecular Weight415.53 g/mol
Exact Mass415.24
IUPAC Name2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
SMILESCCc1oc(-c2ccc(C)cc2)nc1CO[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1
InChIInChI=1S/C24H33NO5/c1-5-21-20(25-22(30-21)18-11-9-16(2)10-12-18)15-28-19-8-6-7-17(13-19)14-29-24(3,4)23(26)27/h9-12,17,19H,5-8,13-15H2,1-4H3,(H,26,27)/t17-,19+/m1/s1
InChIKeyORDFMOKPZVBADC-MJGOQNOKSA-N
XLogP5.17
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 67214865
2-methyl-2-[[3-[[2-(4-methylphenyl)-5-phenyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]propanoic acid
CID 58934250
4-(iodomethyl)-2-(4-methylphenyl)-5-phenyl-1,3-oxazole;2-methyl-2-[[(1R,3S)-3-[[2-(4-methylphenyl)-5-phenyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]propanoic acid
CID 69344064
2-[[(1R,3S)-3-[[5-ethyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpentanoic acid
CID 58951535
2-[[(1R,3S)-3-[[5-ethyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpentanoic acid
CID 58951533
2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid
CID 73031542
2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 58934249
3-[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxy-2-methoxypropanoic acid
CID 59659289
5-ethyl-4-(iodomethyl)-2-naphthalen-2-yl-1,3-oxazole;2-[[(1R,3S)-3-[(5-ethyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 69021677
3-[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxy-2-methoxypropanoic acid;hydroiodide
CID 172695402
2-methyl-2-[[3-[[5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]propanoic acid
CID 58934130
2-methyl-2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]propanoic acid
CID 58934183

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid (CID 11589732) is 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid is CCc1oc(-c2ccc(C)cc2)nc1CO[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1.
What is the InChIKey of 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid?
The InChIKey is ORDFMOKPZVBADC-MJGOQNOKSA-N. The full InChI is InChI=1S/C24H33NO5/c1-5-21-20(25-22(30-21)18-11-9-16(2)10-12-18)15-28-19-8-6-7-17(13-19)14-29-24(3,4)23(26)27/h9-12,17,19H,5-8,13-15H2,1-4H3,(H,26,27)/t17-,19+/m1/s1.
What are the key properties of 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid?
2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid has a molecular weight of 415.53 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 11589732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).