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

C14H22N2O4 — CID 116704758

IUPAC1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCCC(OC)c1noc(CC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C14H22N2O4/c1-3-10(19-2)12-15-11(20-16-12)9-14(13(17)18)7-5-4-6-8-14/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeySKIDPGCFCUCNKG-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.74
Rot. Bonds6

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

1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 116704758) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID116704758
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCCC(OC)c1noc(CC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C14H22N2O4/c1-3-10(19-2)12-15-11(20-16-12)9-14(13(17)18)7-5-4-6-8-14/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeySKIDPGCFCUCNKG-UHFFFAOYSA-N
XLogP2.74
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 116704774
1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 79201753
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 61412293
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cycloheptane-1-carboxylic acid
CID 82008732
1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 80683706
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 82007641
[1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116701602
1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116701649
1-[[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 115385399
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
N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116701643

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid (CID 116704758) is 1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid is CCC(OC)c1noc(CC2(C(=O)O)CCCCC2)n1.
What is the InChIKey of 1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is SKIDPGCFCUCNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-10(19-2)12-15-11(20-16-12)9-14(13(17)18)7-5-4-6-8-14/h10H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid?
1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116704758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).