[5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine

C8H13N3O — CID 115013269

IUPAC[5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCC1(c2nnc(CN)o2)CCC1
InChIInChI=1S/C8H13N3O/c1-8(3-2-4-8)7-11-10-6(5-9)12-7/h2-5,9H2,1H3
InChIKeyQGPYHXYRZBQFPL-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.97
Rot. Bonds2

About [5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 115013269) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is [5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID115013269
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name[5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCC1(c2nnc(CN)o2)CCC1
InChIInChI=1S/C8H13N3O/c1-8(3-2-4-8)7-11-10-6(5-9)12-7/h2-5,9H2,1H3
InChIKeyQGPYHXYRZBQFPL-UHFFFAOYSA-N
XLogP0.97
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 115013269) is [5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine is CC1(c2nnc(CN)o2)CCC1.
What is the InChIKey of [5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is QGPYHXYRZBQFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(3-2-4-8)7-11-10-6(5-9)12-7/h2-5,9H2,1H3.
What are the key properties of [5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 167.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 115013269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).