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

C15H21N3O2 — CID 116740290

IUPACN-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESCCC(C)(OC)c1noc(CCNc2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-4-15(2,19-3)14-17-13(20-18-14)10-11-16-12-8-6-5-7-9-12/h5-9,16H,4,10-11H2,1-3H3
InChIKeyMUIGEUSMXIAVAY-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.00
Rot. Bonds7

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

N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (PubChem CID 116740290) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.

Molecular Properties

Compound NameN-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
PubChem CID116740290
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESCCC(C)(OC)c1noc(CCNc2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-4-15(2,19-3)14-17-13(20-18-14)10-11-16-12-8-6-5-7-9-12/h5-9,16H,4,10-11H2,1-3H3
InChIKeyMUIGEUSMXIAVAY-UHFFFAOYSA-N
XLogP3.00
TPSA60.18 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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116780588
N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 63719422
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106527228
5-(2-anilinoethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632052
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017694
4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 116740363
N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 60838055
4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 116740345
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 79201638
1,1,1-trifluoro-3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780584
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116780972
N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline
CID 106814680

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The IUPAC name of N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (CID 116740290) is N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.
What is the SMILES notation for N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The canonical SMILES for N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is CCC(C)(OC)c1noc(CCNc2ccccc2)n1.
What is the InChIKey of N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The InChIKey is MUIGEUSMXIAVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-15(2,19-3)14-17-13(20-18-14)10-11-16-12-8-6-5-7-9-12/h5-9,16H,4,10-11H2,1-3H3.
What are the key properties of N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline has a molecular weight of 275.35 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is sourced from PubChem (CID 116740290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).