5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine

C10H17N3O — CID 114458859

IUPAC5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(CC2CCCCCC2)n1
InChIInChI=1S/C10H17N3O/c11-10-12-9(14-13-10)7-8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,11,13)
InChIKeyMCJRGUKVIJRPMW-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.16
Rot. Bonds2

About 5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine

5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 114458859) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine
PubChem CID114458859
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(CC2CCCCCC2)n1
InChIInChI=1S/C10H17N3O/c11-10-12-9(14-13-10)7-8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,11,13)
InChIKeyMCJRGUKVIJRPMW-UHFFFAOYSA-N
XLogP2.16
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326432
5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole
CID 114458862
5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
CID 127318368
5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 65159319
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633268
5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 115077247
5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine
CID 103166250
5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382576
5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 667308
5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine
CID 65419210
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635196

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine (CID 114458859) is 5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine is Nc1noc(CC2CCCCCC2)n1.
What is the InChIKey of 5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is MCJRGUKVIJRPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-10-12-9(14-13-10)7-8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,11,13).
What are the key properties of 5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine?
5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 195.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 114458859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).