1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid

C14H22N2O4 — CID 79201753

IUPAC1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCOC(C)(C)c1noc(CC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C14H22N2O4/c1-13(2,19-3)11-15-10(20-16-11)9-14(12(17)18)7-5-4-6-8-14/h4-9H2,1-3H3,(H,17,18)
InChIKeyUUOUOCCCFFHIIG-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.53
Rot. Bonds5

About 1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid

1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79201753) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID79201753
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCOC(C)(C)c1noc(CC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C14H22N2O4/c1-13(2,19-3)11-15-10(20-16-11)9-14(12(17)18)7-5-4-6-8-14/h4-9H2,1-3H3,(H,17,18)
InChIKeyUUOUOCCCFFHIIG-UHFFFAOYSA-N
XLogP2.53
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cycloheptane-1-carboxylic acid
CID 82008732
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 82007641
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 61412293
1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 116704758
1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 80683706
2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 116705047
2-[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 116743957
1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 116704774
1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 116704464
5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79202693
1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 104798218
1-[[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 112754197

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid (CID 79201753) is 1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid is COC(C)(C)c1noc(CC2(C(=O)O)CCCCC2)n1.
What is the InChIKey of 1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is UUOUOCCCFFHIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-13(2,19-3)11-15-10(20-16-11)9-14(12(17)18)7-5-4-6-8-14/h4-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid?
1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79201753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).