2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid

C29H37NO5 — CID 11518603

IUPAC2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid
SMILESCC(C)c1oc(-c2ccc3ccccc3c2)nc1COC[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1
InChIInChI=1S/C29H37NO5/c1-19(2)26-25(30-27(35-26)24-13-12-22-10-5-6-11-23(22)15-24)18-33-16-20-8-7-9-21(14-20)17-34-29(3,4)28(31)32/h5-6,10-13,15,19-21H,7-9,14,16-18H2,1-4H3,(H,31,32)/t20-,21+/m0/s1
InChIKeyQZHSYAYSDDLJJG-LEWJYISDSA-N
MW479.62 g/mol
LogP6.82
Rot. Bonds10

About 2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid

2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid (PubChem CID 11518603) has the molecular formula C29H37NO5 and a molecular weight of 479.62 g/mol. Its IUPAC name is 2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid
PubChem CID11518603
Molecular FormulaC29H37NO5
Molecular Weight479.62 g/mol
Exact Mass479.27
IUPAC Name2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid
SMILESCC(C)c1oc(-c2ccc3ccccc3c2)nc1COC[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1
InChIInChI=1S/C29H37NO5/c1-19(2)26-25(30-27(35-26)24-13-12-22-10-5-6-11-23(22)15-24)18-33-16-20-8-7-9-21(14-20)17-34-29(3,4)28(31)32/h5-6,10-13,15,19-21H,7-9,14,16-18H2,1-4H3,(H,31,32)/t20-,21+/m0/s1
InChIKeyQZHSYAYSDDLJJG-LEWJYISDSA-N
XLogP6.82
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid
CID 73031542
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-1-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid
CID 69242967
2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 58934249
2-methyl-2-[[(1S,3R)-3-[[5-propyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]propanoic acid
CID 162581985
2-methyl-2-[[3-[[2-(4-methylphenyl)-5-phenyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]propanoic acid
CID 58934250
2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 67214865
2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 11589732
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
2-[[(1S,3R)-3-[[2-(4-tert-butylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 69024838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid?
The IUPAC name of 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) is 2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid is CC(C)c1oc(-c2ccc3ccccc3c2)nc1COC[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid?
The InChIKey is QZHSYAYSDDLJJG-LEWJYISDSA-N. The full InChI is InChI=1S/C29H37NO5/c1-19(2)26-25(30-27(35-26)24-13-12-22-10-5-6-11-23(22)15-24)18-33-16-20-8-7-9-21(14-20)17-34-29(3,4)28(31)32/h5-6,10-13,15,19-21H,7-9,14,16-18H2,1-4H3,(H,31,32)/t20-,21+/m0/s1.
What are the key properties of 2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid?
2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid has a molecular weight of 479.62 g/mol, XLogP of 6.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid is sourced from PubChem (CID 11518603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).