5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole

C10H16N2O — CID 127318368

IUPAC5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CC2CCCCC2)n1
InChIInChI=1S/C10H16N2O/c1-8-11-10(13-12-8)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyRVMJRPSAZUVYGY-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.50
Rot. Bonds2

About 5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole

5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 127318368) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
PubChem CID127318368
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CC2CCCCC2)n1
InChIInChI=1S/C10H16N2O/c1-8-11-10(13-12-8)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyRVMJRPSAZUVYGY-UHFFFAOYSA-N
XLogP2.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole
CID 114458862
5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine
CID 114458859
[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326432
1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 72929438
N-(cyclopentylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 155954949
5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole
CID 131086308
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635196
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382576
5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719
2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633268

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole (CID 127318368) is 5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(CC2CCCCC2)n1.
What is the InChIKey of 5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is RVMJRPSAZUVYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-11-10(13-12-8)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3.
What are the key properties of 5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole?
5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 180.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 127318368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).