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

C14H16N2O4S — CID 114451297

IUPAC4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCc2noc(-c3ccsc3)n2)CC1
InChIInChI=1S/C14H16N2O4S/c17-14(18)9-1-3-11(4-2-9)19-7-12-15-13(20-16-12)10-5-6-21-8-10/h5-6,8-9,11H,1-4,7H2,(H,17,18)
InChIKeyBRDTVSULPWFNJD-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.96
Rot. Bonds5

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

4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid (PubChem CID 114451297) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid
PubChem CID114451297
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCc2noc(-c3ccsc3)n2)CC1
InChIInChI=1S/C14H16N2O4S/c17-14(18)9-1-3-11(4-2-9)19-7-12-15-13(20-16-12)10-5-6-21-8-10/h5-6,8-9,11H,1-4,7H2,(H,17,18)
InChIKeyBRDTVSULPWFNJD-UHFFFAOYSA-N
XLogP2.96
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid
CID 114451055
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetic acid
CID 43169810
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
CID 81470168
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 43048760
[3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 102789048
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 38859277
3,3,3-trifluoro-2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 79790929
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol
CID 102636569
2,2,3-trimethyl-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid
CID 65264570
1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62654121

Frequently Asked Questions

What is the IUPAC name of 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid (CID 114451297) is 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(OCc2noc(-c3ccsc3)n2)CC1.
What is the InChIKey of 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid?
The InChIKey is BRDTVSULPWFNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-14(18)9-1-3-11(4-2-9)19-7-12-15-13(20-16-12)10-5-6-21-8-10/h5-6,8-9,11H,1-4,7H2,(H,17,18).
What are the key properties of 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid?
4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114451297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).