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

C15H21N3O2 — CID 107273823

IUPAC2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESCCCC(OC)c1noc(CCc2ccccc2N)n1
InChIInChI=1S/C15H21N3O2/c1-3-6-13(19-2)15-17-14(20-18-15)10-9-11-7-4-5-8-12(11)16/h4-5,7-8,13H,3,6,9-10,16H2,1-2H3
InChIKeyCEPZJHPAHNCWQS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.92
Rot. Bonds7

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

2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (PubChem CID 107273823) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
PubChem CID107273823
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESCCCC(OC)c1noc(CCc2ccccc2N)n1
InChIInChI=1S/C15H21N3O2/c1-3-6-13(19-2)15-17-14(20-18-15)10-9-11-7-4-5-8-12(11)16/h4-5,7-8,13H,3,6,9-10,16H2,1-2H3
InChIKeyCEPZJHPAHNCWQS-UHFFFAOYSA-N
XLogP2.92
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 107273781
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116702582
3-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116701865
2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106527278
5-chloro-2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702480
2-chloro-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702452
2-bromo-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813831
2-[2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273848
5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811752
2-amino-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 116702518
4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116701700
2-[[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483653

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The IUPAC name of 2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (CID 107273823) is 2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.
What is the SMILES notation for 2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The canonical SMILES for 2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is CCCC(OC)c1noc(CCc2ccccc2N)n1.
What is the InChIKey of 2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The InChIKey is CEPZJHPAHNCWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-6-13(19-2)15-17-14(20-18-15)10-9-11-7-4-5-8-12(11)16/h4-5,7-8,13H,3,6,9-10,16H2,1-2H3.
What are the key properties of 2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline has a molecular weight of 275.35 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is sourced from PubChem (CID 107273823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).