2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid

C18H26F3NO4 — CID 175245522

IUPAC2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid
SMILESCc1oc(C(F)(F)F)nc1COC1CCCC(CCC(C)(C)C(=O)O)C1
InChIInChI=1S/C18H26F3NO4/c1-11-14(22-15(26-11)18(19,20)21)10-25-13-6-4-5-12(9-13)7-8-17(2,3)16(23)24/h12-13H,4-10H2,1-3H3,(H,23,24)
InChIKeyVLENQGPPYOVQOY-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.97
Rot. Bonds7

About 2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid

2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid (PubChem CID 175245522) has the molecular formula C18H26F3NO4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid
PubChem CID175245522
Molecular FormulaC18H26F3NO4
Molecular Weight377.40 g/mol
Exact Mass377.18
IUPAC Name2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid
SMILESCc1oc(C(F)(F)F)nc1COC1CCCC(CCC(C)(C)C(=O)O)C1
InChIInChI=1S/C18H26F3NO4/c1-11-14(22-15(26-11)18(19,20)21)10-25-13-6-4-5-12(9-13)7-8-17(2,3)16(23)24/h12-13H,4-10H2,1-3H3,(H,23,24)
InChIKeyVLENQGPPYOVQOY-UHFFFAOYSA-N
XLogP4.97
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid?
The IUPAC name of 2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid (CID 175245522) is 2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid is Cc1oc(C(F)(F)F)nc1COC1CCCC(CCC(C)(C)C(=O)O)C1.
What is the InChIKey of 2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid?
The InChIKey is VLENQGPPYOVQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO4/c1-11-14(22-15(26-11)18(19,20)21)10-25-13-6-4-5-12(9-13)7-8-17(2,3)16(23)24/h12-13H,4-10H2,1-3H3,(H,23,24).
What are the key properties of 2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid?
2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid has a molecular weight of 377.40 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[3-[[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]butanoic acid is sourced from PubChem (CID 175245522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).