N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine

C9H15N3O — CID 65413630

IUPACN-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(C2CCC(C)C2)no1
InChIInChI=1S/C9H15N3O/c1-6-3-4-7(5-6)8-11-9(10-2)13-12-8/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyIWBKHUVDTHVKFH-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.01
Rot. Bonds2

About N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine

N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine (PubChem CID 65413630) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine
PubChem CID65413630
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(C2CCC(C)C2)no1
InChIInChI=1S/C9H15N3O/c1-6-3-4-7(5-6)8-11-9(10-2)13-12-8/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyIWBKHUVDTHVKFH-UHFFFAOYSA-N
XLogP2.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 62595230
3-methyl-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65412841
N,3-dicyclopropyl-1,2,4-oxadiazol-5-amine
CID 62594867
N-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201490
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65414274
2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525013
N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 65401429
(1S,2R)-1-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965498
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65402444
3-cyclopropyl-N-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-amine
CID 130927334
5-(4-methoxypyrrolidin-2-yl)-3-(3-methylcyclopentyl)-1,2,4-oxadiazole
CID 65401220
1-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845271

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine (CID 65413630) is N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine is CNc1nc(C2CCC(C)C2)no1.
What is the InChIKey of N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is IWBKHUVDTHVKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-3-4-7(5-6)8-11-9(10-2)13-12-8/h6-7H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine?
N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 181.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 65413630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).