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

C29H41NO5 — CID 58934249

IUPAC2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
SMILESCc1ccc(-c2nc(COCC3CCCC(COC(C)(C)C(=O)O)C3)c(C3CCCCC3)o2)cc1
InChIInChI=1S/C29H41NO5/c1-20-12-14-24(15-13-20)27-30-25(26(35-27)23-10-5-4-6-11-23)19-33-17-21-8-7-9-22(16-21)18-34-29(2,3)28(31)32/h12-15,21-23H,4-11,16-19H2,1-3H3,(H,31,32)
InChIKeyYCHWLGGRAFRSFC-UHFFFAOYSA-N
MW483.65 g/mol
LogP6.90
Rot. Bonds10

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

2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid (PubChem CID 58934249) has the molecular formula C29H41NO5 and a molecular weight of 483.65 g/mol. Its IUPAC name is 2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
PubChem CID58934249
Molecular FormulaC29H41NO5
Molecular Weight483.65 g/mol
Exact Mass483.30
IUPAC Name2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
SMILESCc1ccc(-c2nc(COCC3CCCC(COC(C)(C)C(=O)O)C3)c(C3CCCCC3)o2)cc1
InChIInChI=1S/C29H41NO5/c1-20-12-14-24(15-13-20)27-30-25(26(35-27)23-10-5-4-6-11-23)19-33-17-21-8-7-9-22(16-21)18-34-29(2,3)28(31)32/h12-15,21-23H,4-11,16-19H2,1-3H3,(H,31,32)
InChIKeyYCHWLGGRAFRSFC-UHFFFAOYSA-N
XLogP6.90
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.65
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid with MolForge

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Related Compounds

2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 11589732
2-methyl-2-[[3-[[2-(4-methylphenyl)-5-phenyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]propanoic acid
CID 58934250
2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid
CID 11518603
2-(3,4-dimethylphenyl)-4-(iodomethyl)-5-propan-2-yl-1,3-oxazole;2-[[(1S,3R)-3-[[2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 69021977
2-methyl-2-[[3-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid
CID 69242967
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
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-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 67214865
2-methyl-2-[[(1S,3R)-3-[[5-propyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]propanoic acid
CID 162581985
4-iodo-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-oxazole;2-methyl-2-[[(1S,3R)-3-[[5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]propanoic acid
CID 158628884
2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid
CID 73031542
2-[[(1R,3S)-3-[[2-(4-tert-butylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 69022790

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid (CID 58934249) is 2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid is Cc1ccc(-c2nc(COCC3CCCC(COC(C)(C)C(=O)O)C3)c(C3CCCCC3)o2)cc1.
What is the InChIKey of 2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid?
The InChIKey is YCHWLGGRAFRSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO5/c1-20-12-14-24(15-13-20)27-30-25(26(35-27)23-10-5-4-6-11-23)19-33-17-21-8-7-9-22(16-21)18-34-29(2,3)28(31)32/h12-15,21-23H,4-11,16-19H2,1-3H3,(H,31,32).
What are the key properties of 2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid?
2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid has a molecular weight of 483.65 g/mol, XLogP of 6.90, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 58934249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).