N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline

C15H21N3O — CID 63719237

IUPACN-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
SMILESCCC(C)c1noc(CCNc2ccccc2C)n1
InChIInChI=1S/C15H21N3O/c1-4-11(2)15-17-14(19-18-15)9-10-16-13-8-6-5-7-12(13)3/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyWPXWMTRZUSONQQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.55
Rot. Bonds6

About N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline

N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline (PubChem CID 63719237) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
PubChem CID63719237
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
SMILESCCC(C)c1noc(CCNc2ccccc2C)n1
InChIInChI=1S/C15H21N3O/c1-4-11(2)15-17-14(19-18-15)9-10-16-13-8-6-5-7-12(13)3/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyWPXWMTRZUSONQQ-UHFFFAOYSA-N
XLogP3.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 63719422
N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 78953796
N-[2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 65137269
2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104827059
N-[2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 65130527
N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 64981815
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 120862662
2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 65403053
2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740766
2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62653872
2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
CID 133305648
2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
CID 133405040

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline (CID 63719237) is N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline is CCC(C)c1noc(CCNc2ccccc2C)n1.
What is the InChIKey of N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline?
The InChIKey is WPXWMTRZUSONQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-11(2)15-17-14(19-18-15)9-10-16-13-8-6-5-7-12(13)3/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline?
N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline has a molecular weight of 259.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 63719237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).