N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine

C8H13N3O — CID 106394778

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine
SMILESc1noc(CCNC2CCC2)n1
InChIInChI=1S/C8H13N3O/c1-2-7(3-1)9-5-4-8-10-6-11-12-8/h6-7,9H,1-5H2
InChIKeyLDDRDUQIZHYJDF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.75
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine (PubChem CID 106394778) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine
PubChem CID106394778
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine
SMILESc1noc(CCNC2CCC2)n1
InChIInChI=1S/C8H13N3O/c1-2-7(3-1)9-5-4-8-10-6-11-12-8/h6-7,9H,1-5H2
InChIKeyLDDRDUQIZHYJDF-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-5-yl)ethyl]cyclododecanamine
CID 106394531
trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
CID 106399719
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclohexan-1-ol
CID 106400144
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxan-4-amine
CID 106395238
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106394773
1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
CID 106395713
2-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 114183262
N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 106408371
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 106395267
3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
CID 106395110
N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine
CID 82467812
3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]spiro[3.4]octan-1-amine
CID 106395151

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine (CID 106394778) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine is c1noc(CCNC2CCC2)n1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine?
The InChIKey is LDDRDUQIZHYJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-7(3-1)9-5-4-8-10-6-11-12-8/h6-7,9H,1-5H2.
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine?
N-[2-(1,2,4-oxadiazol-5-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-5-yl)ethyl]cyclobutanamine is sourced from PubChem (CID 106394778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).