2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid

C13H17F3N2O3 — CID 61392837

IUPAC2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(CC(F)(F)F)no2)CCCCC1
InChIInChI=1S/C13H17F3N2O3/c14-13(15,16)6-9-17-10(21-18-9)7-12(8-11(19)20)4-2-1-3-5-12/h1-8H2,(H,19,20)
InChIKeySEFWYAIDOILIRQ-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.14
Rot. Bonds5

About 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid

2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid (PubChem CID 61392837) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
PubChem CID61392837
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(CC(F)(F)F)no2)CCCCC1
InChIInChI=1S/C13H17F3N2O3/c14-13(15,16)6-9-17-10(21-18-9)7-12(8-11(19)20)4-2-1-3-5-12/h1-8H2,(H,19,20)
InChIKeySEFWYAIDOILIRQ-UHFFFAOYSA-N
XLogP3.14
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclononane-1-carboxylic acid
CID 130179821
4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclooctane-1-carboxylic acid
CID 135303655
4-[5-(1,1-Difluoroethyl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 155060636
4-[5-[1-(Trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 155060890
4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 177944623
1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 61392812
1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cycloheptane-1-carboxylic acid
CID 61392822
2-[1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 61392848
3,3-Dimethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 62934903
1-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 79953533
2-[1-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 79953690
3,3-Dimethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 79954404

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid (CID 61392837) is 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid is O=C(O)CC1(Cc2nc(CC(F)(F)F)no2)CCCCC1.
What is the InChIKey of 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid?
The InChIKey is SEFWYAIDOILIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c14-13(15,16)6-9-17-10(21-18-9)7-12(8-11(19)20)4-2-1-3-5-12/h1-8H2,(H,19,20).
What are the key properties of 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid?
2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid has a molecular weight of 306.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 61392837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).