3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine

C12H21N3O — CID 62138936

IUPAC3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nnc(C2CCC2)o1
InChIInChI=1S/C12H21N3O/c1-9(2)13-8-4-7-11-14-15-12(16-11)10-5-3-6-10/h9-10,13H,3-8H2,1-2H3
InChIKeyYCMQSRHDNODCSL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.27
Rot. Bonds6

About 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine

3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 62138936) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID62138936
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nnc(C2CCC2)o1
InChIInChI=1S/C12H21N3O/c1-9(2)13-8-4-7-11-14-15-12(16-11)10-5-3-6-10/h9-10,13H,3-8H2,1-2H3
InChIKeyYCMQSRHDNODCSL-UHFFFAOYSA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55151254
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
CID 62136737
3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138939
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62139278
N-[2-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 64905825
3-(5-pentyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138927
2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 43513428
N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 107003049
1-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84666403
N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 114241677
N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 80596026
N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 107183220

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine (CID 62138936) is 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1nnc(C2CCC2)o1.
What is the InChIKey of 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is YCMQSRHDNODCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)13-8-4-7-11-14-15-12(16-11)10-5-3-6-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine?
3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62138936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).