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

C14H19N3O — CID 63719422

IUPACN-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESCCC(C)c1noc(CCNc2ccccc2)n1
InChIInChI=1S/C14H19N3O/c1-3-11(2)14-16-13(18-17-14)9-10-15-12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3
InChIKeyYCWNMWOHWDMKEM-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.24
Rot. Bonds6

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

N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline (PubChem CID 63719422) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
PubChem CID63719422
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESCCC(C)c1noc(CCNc2ccccc2)n1
InChIInChI=1S/C14H19N3O/c1-3-11(2)14-16-13(18-17-14)9-10-15-12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3
InChIKeyYCWNMWOHWDMKEM-UHFFFAOYSA-N
XLogP3.24
TPSA50.95 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 ≤ 53.24
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]-2-methylaniline
CID 63719237
N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116740290
2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740766
5-(2-anilinoethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632052
N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 60838055
N-[3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]propyl]aniline
CID 116703413
3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methyl-2-phenylpropanoic acid
CID 63717960
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62652975
N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 79704099
N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60837266
N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline
CID 106814680
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 63716700

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The IUPAC name of N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline (CID 63719422) is N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The canonical SMILES for N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline is CCC(C)c1noc(CCNc2ccccc2)n1.
What is the InChIKey of N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The InChIKey is YCWNMWOHWDMKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-11(2)14-16-13(18-17-14)9-10-15-12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3.
What are the key properties of N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 3.24, 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]aniline is sourced from PubChem (CID 63719422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).