2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid

C27H28F3NO5 — CID 22493685

IUPAC2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid
SMILESCc1cccc(COC2CCCC(OCc3nc(-c4cccc(C(F)(F)F)c4)oc3C)C2)c1C(=O)O
InChIInChI=1S/C27H28F3NO5/c1-16-6-3-8-19(24(16)26(32)33)14-34-21-10-5-11-22(13-21)35-15-23-17(2)36-25(31-23)18-7-4-9-20(12-18)27(28,29)30/h3-4,6-9,12,21-22H,5,10-11,13-15H2,1-2H3,(H,32,33)
InChIKeyYWUZBOIKGWCRGK-UHFFFAOYSA-N
MW503.52 g/mol
LogP6.72
Rot. Bonds8

About 2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid

2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid (PubChem CID 22493685) has the molecular formula C27H28F3NO5 and a molecular weight of 503.52 g/mol. Its IUPAC name is 2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid
PubChem CID22493685
Molecular FormulaC27H28F3NO5
Molecular Weight503.52 g/mol
Exact Mass503.19
IUPAC Name2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid
SMILESCc1cccc(COC2CCCC(OCc3nc(-c4cccc(C(F)(F)F)c4)oc3C)C2)c1C(=O)O
InChIInChI=1S/C27H28F3NO5/c1-16-6-3-8-19(24(16)26(32)33)14-34-21-10-5-11-22(13-21)35-15-23-17(2)36-25(31-23)18-7-4-9-20(12-18)27(28,29)30/h3-4,6-9,12,21-22H,5,10-11,13-15H2,1-2H3,(H,32,33)
InChIKeyYWUZBOIKGWCRGK-UHFFFAOYSA-N
XLogP6.72
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.52
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid with MolForge

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Related Compounds

Imiglitazar
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2-Methoxycarbonyl-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionic acid
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2-Ethoxycarbonyl-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionic acid
CID 10788402
Diethyl 4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]benzylmalonate
CID 11797860
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CID 25148012
Ave-8134
CID 11625114
3-(5-(3,5-Bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid
CID 155491000
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CID 10137230
(3E)-3-[(4-fluorophenyl)methoxyimino]-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]butanoic acid
CID 25263408
3-[(S)-2-(4,5-Diphenyl-oxazol-2-yl)-cyclohex-2-enylmethyl]-benzoic acid
CID 9955802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid?
The IUPAC name of 2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid (CID 22493685) is 2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid.
What is the SMILES notation for 2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid?
The canonical SMILES for 2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid is Cc1cccc(COC2CCCC(OCc3nc(-c4cccc(C(F)(F)F)c4)oc3C)C2)c1C(=O)O.
What is the InChIKey of 2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid?
The InChIKey is YWUZBOIKGWCRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3NO5/c1-16-6-3-8-19(24(16)26(32)33)14-34-21-10-5-11-22(13-21)35-15-23-17(2)36-25(31-23)18-7-4-9-20(12-18)27(28,29)30/h3-4,6-9,12,21-22H,5,10-11,13-15H2,1-2H3,(H,32,33).
What are the key properties of 2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid?
2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid has a molecular weight of 503.52 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid is sourced from PubChem (CID 22493685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).