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

C15H22N4O — CID 104698797

IUPAC4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCCN(CC)CCc1noc(-c2ccc(NC)cc2)n1
InChIInChI=1S/C15H22N4O/c1-4-19(5-2)11-10-14-17-15(20-18-14)12-6-8-13(16-3)9-7-12/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyBFBURPMCKIBWPS-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.66
Rot. Bonds7

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

4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline (PubChem CID 104698797) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline
PubChem CID104698797
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCCN(CC)CCc1noc(-c2ccc(NC)cc2)n1
InChIInChI=1S/C15H22N4O/c1-4-19(5-2)11-10-14-17-15(20-18-14)12-6-8-13(16-3)9-7-12/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyBFBURPMCKIBWPS-UHFFFAOYSA-N
XLogP2.66
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 113442813
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904374
2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 104938437
N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 82468711
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136712650
2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 43331551
4-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 44560734
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755
2-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62343277
N-ethyl-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylaniline;hydrochloride
CID 120868223
3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115666486

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The IUPAC name of 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline (CID 104698797) is 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline.
What is the SMILES notation for 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The canonical SMILES for 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline is CCN(CC)CCc1noc(-c2ccc(NC)cc2)n1.
What is the InChIKey of 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The InChIKey is BFBURPMCKIBWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-19(5-2)11-10-14-17-15(20-18-14)12-6-8-13(16-3)9-7-12/h6-9,16H,4-5,10-11H2,1-3H3.
What are the key properties of 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline?
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline has a molecular weight of 274.37 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline is sourced from PubChem (CID 104698797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).