3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole

C21H26N4O2 — CID 139003346

IUPAC3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
SMILESCOCC1(c2noc(CCc3cnn(-c4ccccc4)c3)n2)CCCCC1
InChIInChI=1S/C21H26N4O2/c1-26-16-21(12-6-3-7-13-21)20-23-19(27-24-20)11-10-17-14-22-25(15-17)18-8-4-2-5-9-18/h2,4-5,8-9,14-15H,3,6-7,10-13,16H2,1H3
InChIKeyRFYKNBORRQWDQT-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.89
Rot. Bonds7

About 3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole

3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 139003346) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
PubChem CID139003346
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
SMILESCOCC1(c2noc(CCc3cnn(-c4ccccc4)c3)n2)CCCCC1
InChIInChI=1S/C21H26N4O2/c1-26-16-21(12-6-3-7-13-21)20-23-19(27-24-20)11-10-17-14-22-25(15-17)18-8-4-2-5-9-18/h2,4-5,8-9,14-15H,3,6-7,10-13,16H2,1H3
InChIKeyRFYKNBORRQWDQT-UHFFFAOYSA-N
XLogP3.89
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856659
1-phenyl-4-propylpyrazole
CID 12902534
5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole
CID 130655967
N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 71894247
methyl 4-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoylamino]cyclohexane-1-carboxylate
CID 55808660
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199
3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95708917
2-[1-[3-(1-phenylpyrazol-4-yl)propanoylamino]cyclobutyl]acetic acid
CID 119218093
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111410599
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 62523609

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole (CID 139003346) is 3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole is COCC1(c2noc(CCc3cnn(-c4ccccc4)c3)n2)CCCCC1.
What is the InChIKey of 3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is RFYKNBORRQWDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-26-16-21(12-6-3-7-13-21)20-23-19(27-24-20)11-10-17-14-22-25(15-17)18-8-4-2-5-9-18/h2,4-5,8-9,14-15H,3,6-7,10-13,16H2,1H3.
What are the key properties of 3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 366.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 139003346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).