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

C9H15N3O — CID 126997706

IUPACN-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCCC2CCC2)o1
InChIInChI=1S/C9H15N3O/c1-7-11-12-9(13-7)10-6-5-8-3-2-4-8/h8H,2-6H2,1H3,(H,10,12)
InChIKeySFXHPNOLLBQZIR-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.98
Rot. Bonds4

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

N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 126997706) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID126997706
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCCC2CCC2)o1
InChIInChI=1S/C9H15N3O/c1-7-11-12-9(13-7)10-6-5-8-3-2-4-8/h8H,2-6H2,1H3,(H,10,12)
InChIKeySFXHPNOLLBQZIR-UHFFFAOYSA-N
XLogP1.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloroethyl)-N-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-amine
CID 106956817
5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine
CID 106958030
5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
CID 97200324
N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine
CID 88975148
3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile
CID 131154584
5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961976
3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 106010660
N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 130735988
N-(3-cyclopentylpropyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106015746
N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine
CID 115689915
5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
CID 97139412
2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole
CID 53017482

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine (CID 126997706) is N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NCCC2CCC2)o1.
What is the InChIKey of N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is SFXHPNOLLBQZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-11-12-9(13-7)10-6-5-8-3-2-4-8/h8H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine?
N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 126997706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).