N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine

C8H13N3O — CID 106396081

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine
SMILESc1nc(CCNC2CCC2)no1
InChIInChI=1S/C8H13N3O/c1-2-7(3-1)9-5-4-8-10-6-12-11-8/h6-7,9H,1-5H2
InChIKeyPXILYFBYDQBGLI-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.75
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine (PubChem CID 106396081) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine
PubChem CID106396081
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine
SMILESc1nc(CCNC2CCC2)no1
InChIInChI=1S/C8H13N3O/c1-2-7(3-1)9-5-4-8-10-6-12-11-8/h6-7,9H,1-5H2
InChIKeyPXILYFBYDQBGLI-UHFFFAOYSA-N
XLogP0.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106396755
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine
CID 106401033
2,6-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106395561
2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine
CID 106396763
2-(cyclopropylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106397634
3-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
CID 106396530
N-(dicyclopropylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395342
2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106396253
N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 114183997
3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
CID 106396532
N-ethyl-9-[2-(1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 106408122
2-(cyclopropylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide
CID 106410989

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine (CID 106396081) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine is c1nc(CCNC2CCC2)no1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine?
The InChIKey is PXILYFBYDQBGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-7(3-1)9-5-4-8-10-6-12-11-8/h6-7,9H,1-5H2.
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine has a molecular weight of 167.21 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine is sourced from PubChem (CID 106396081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).