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

C13H18N2O4 — CID 114451055

IUPAC4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCc2noc(C3CC3)n2)CC1
InChIInChI=1S/C13H18N2O4/c16-13(17)9-3-5-10(6-4-9)18-7-11-14-12(19-15-11)8-1-2-8/h8-10H,1-7H2,(H,16,17)
InChIKeyCMHBJXOQJRHMDT-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.11
Rot. Bonds5

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

4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid (PubChem CID 114451055) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid
PubChem CID114451055
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCc2noc(C3CC3)n2)CC1
InChIInChI=1S/C13H18N2O4/c16-13(17)9-3-5-10(6-4-9)18-7-11-14-12(19-15-11)8-1-2-8/h8-10H,1-7H2,(H,16,17)
InChIKeyCMHBJXOQJRHMDT-UHFFFAOYSA-N
XLogP2.11
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid
CID 114451297
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552004
(2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104876160
3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552164
3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903801
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552070
3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552075
1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122084935
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid
CID 61497495
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81446484
ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate
CID 60564844

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid (CID 114451055) is 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(OCc2noc(C3CC3)n2)CC1.
What is the InChIKey of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid?
The InChIKey is CMHBJXOQJRHMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-13(17)9-3-5-10(6-4-9)18-7-11-14-12(19-15-11)8-1-2-8/h8-10H,1-7H2,(H,16,17).
What are the key properties of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid?
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114451055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).