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

C16H24N2O3 — CID 107925264

IUPAC2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
SMILESCC1(C)CC1c1noc(CC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C16H24N2O3/c1-15(2)8-11(15)14-17-12(21-18-14)9-16(10-13(19)20)6-4-3-5-7-16/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyJDEBHISSRIFIML-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.55
Rot. Bonds5

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

2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid (PubChem CID 107925264) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
PubChem CID107925264
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
SMILESCC1(C)CC1c1noc(CC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C16H24N2O3/c1-15(2)8-11(15)14-17-12(21-18-14)9-16(10-13(19)20)6-4-3-5-7-16/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyJDEBHISSRIFIML-UHFFFAOYSA-N
XLogP3.55
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
CID 80620158
2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
CID 59912914
2-[1-[[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
CID 79077575
1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 107925102
2-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 54977860
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 107924436
[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol
CID 107924486
2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 116705047
2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 65137858
2-[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 116743957
2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 103985919
2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 6623561

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid (CID 107925264) is 2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid is CC1(C)CC1c1noc(CC2(CC(=O)O)CCCCC2)n1.
What is the InChIKey of 2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid?
The InChIKey is JDEBHISSRIFIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2)8-11(15)14-17-12(21-18-14)9-16(10-13(19)20)6-4-3-5-7-16/h11H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid?
2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 3.55, 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-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 107925264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).