2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline

C14H19N3O — CID 107273781

IUPAC2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESCCCCc1noc(CCc2ccccc2N)n1
InChIInChI=1S/C14H19N3O/c1-2-3-8-13-16-14(18-17-13)10-9-11-6-4-5-7-12(11)15/h4-7H,2-3,8-10,15H2,1H3
InChIKeyGIVZNDHANNQVIL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.78
Rot. Bonds6

About 2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline

2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline (PubChem CID 107273781) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
PubChem CID107273781
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESCCCCc1noc(CCc2ccccc2N)n1
InChIInChI=1S/C14H19N3O/c1-2-3-8-13-16-14(18-17-13)10-9-11-6-4-5-7-12(11)15/h4-7H,2-3,8-10,15H2,1H3
InChIKeyGIVZNDHANNQVIL-UHFFFAOYSA-N
XLogP2.78
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43249039
2-[2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273848
3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 115340356
2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273823
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104827027
N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 78953796
3-butyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2,4-oxadiazole
CID 78846380
2-[2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273817
2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273782
2-tetradecylaniline
CID 22218918
5-(benzylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole
CID 78846456

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The IUPAC name of 2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline (CID 107273781) is 2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline is CCCCc1noc(CCc2ccccc2N)n1.
What is the InChIKey of 2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The InChIKey is GIVZNDHANNQVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-8-13-16-14(18-17-13)10-9-11-6-4-5-7-12(11)15/h4-7H,2-3,8-10,15H2,1H3.
What are the key properties of 2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 107273781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).