2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole

C18H20N4O3 — CID 136530308

IUPAC2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole
SMILESCC1CCCC(OCc2nnc(-c3nnc(-c4ccccc4)o3)o2)C1
InChIInChI=1S/C18H20N4O3/c1-12-6-5-9-14(10-12)23-11-15-19-21-17(24-15)18-22-20-16(25-18)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3
InChIKeyZJMHVIXPTZNASZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.88
Rot. Bonds5

About 2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole

2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole (PubChem CID 136530308) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole
PubChem CID136530308
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole
SMILESCC1CCCC(OCc2nnc(-c3nnc(-c4ccccc4)o3)o2)C1
InChIInChI=1S/C18H20N4O3/c1-12-6-5-9-14(10-12)23-11-15-19-21-17(24-15)18-22-20-16(25-18)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3
InChIKeyZJMHVIXPTZNASZ-UHFFFAOYSA-N
XLogP3.88
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole
CID 161499473
2-[[(1S,3S)-3-methylcyclohexyl]oxymethyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 125419246
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate
CID 78760189
trimethyl-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]silane
CID 103438651
[5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
CID 62455722
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635071
3-[(3-methylcyclohexyl)oxymethyl]furan-2-carboxylic acid
CID 43153163
(2R)-2-[5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129332397
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate
CID 8610527
5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide
CID 55213213
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole (CID 136530308) is 2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole is CC1CCCC(OCc2nnc(-c3nnc(-c4ccccc4)o3)o2)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is ZJMHVIXPTZNASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-6-5-9-14(10-12)23-11-15-19-21-17(24-15)18-22-20-16(25-18)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3.
What are the key properties of 2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole?
2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 340.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexyl)oxymethyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 136530308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).