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

C26H31NO5 — CID 73031542

IUPAC2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid
SMILESCc1oc(-c2ccc3ccccc3c2)nc1COC1CCCC(COC(C)(C)C(=O)O)C1
InChIInChI=1S/C26H31NO5/c1-17-23(27-24(32-17)21-12-11-19-8-4-5-9-20(19)14-21)16-30-22-10-6-7-18(13-22)15-31-26(2,3)25(28)29/h4-5,8-9,11-12,14,18,22H,6-7,10,13,15-16H2,1-3H3,(H,28,29)
InChIKeyRXCNMUPWGKLGFL-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.76
Rot. Bonds8

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

2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid (PubChem CID 73031542) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid
PubChem CID73031542
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid
SMILESCc1oc(-c2ccc3ccccc3c2)nc1COC1CCCC(COC(C)(C)C(=O)O)C1
InChIInChI=1S/C26H31NO5/c1-17-23(27-24(32-17)21-12-11-19-8-4-5-9-20(19)14-21)16-30-22-10-6-7-18(13-22)15-31-26(2,3)25(28)29/h4-5,8-9,11-12,14,18,22H,6-7,10,13,15-16H2,1-3H3,(H,28,29)
InChIKeyRXCNMUPWGKLGFL-UHFFFAOYSA-N
XLogP5.76
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]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

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-[[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-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 11589732
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
4-(iodomethyl)-5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazole;2-methyl-2-[[(1R,3S)-3-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]propanoic acid
CID 69344411
4-(iodomethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole;2-methyl-2-[[(1R,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid
CID 69344435
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-methyl-2-[[3-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid
CID 69242967
2-methyl-2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]propanoic acid
CID 58934183
1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one
CID 142936134

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid (CID 73031542) is 2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid is Cc1oc(-c2ccc3ccccc3c2)nc1COC1CCCC(COC(C)(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid?
The InChIKey is RXCNMUPWGKLGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-17-23(27-24(32-17)21-12-11-19-8-4-5-9-20(19)14-21)16-30-22-10-6-7-18(13-22)15-31-26(2,3)25(28)29/h4-5,8-9,11-12,14,18,22H,6-7,10,13,15-16H2,1-3H3,(H,28,29).
What are the key properties of 2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid?
2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid has a molecular weight of 437.54 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]cyclohexyl]methoxy]propanoic acid is sourced from PubChem (CID 73031542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).