N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline

C15H19N3O — CID 64981860

IUPACN-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline
SMILESc1ccc(NCCCc2nc(C3CCC3)no2)cc1
InChIInChI=1S/C15H19N3O/c1-2-8-13(9-3-1)16-11-5-10-14-17-15(18-19-14)12-6-4-7-12/h1-3,8-9,12,16H,4-7,10-11H2
InChIKeyBFZZPIPFBUUPCA-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.38
Rot. Bonds6

About N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline

N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline (PubChem CID 64981860) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline
PubChem CID64981860
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline
SMILESc1ccc(NCCCc2nc(C3CCC3)no2)cc1
InChIInChI=1S/C15H19N3O/c1-2-8-13(9-3-1)16-11-5-10-14-17-15(18-19-14)12-6-4-7-12/h1-3,8-9,12,16H,4-7,10-11H2
InChIKeyBFZZPIPFBUUPCA-UHFFFAOYSA-N
XLogP3.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.38
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-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 54924305
N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60837266
3-N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]benzene-1,3-diamine;ethene
CID 154683922
N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 64981815
N-[3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 116806613
5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
CID 64981958
N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 60838055
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65401412
N-[3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]propyl]aniline
CID 116703413
4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 64981819
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline?
The IUPAC name of N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline (CID 64981860) is N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline.
What is the SMILES notation for N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline?
The canonical SMILES for N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline is c1ccc(NCCCc2nc(C3CCC3)no2)cc1.
What is the InChIKey of N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline?
The InChIKey is BFZZPIPFBUUPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-8-13(9-3-1)16-11-5-10-14-17-15(18-19-14)12-6-4-7-12/h1-3,8-9,12,16H,4-7,10-11H2.
What are the key properties of N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline?
N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline has a molecular weight of 257.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline is sourced from PubChem (CID 64981860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).