1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

C16H23N3O — CID 62163927

IUPAC1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(-c2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C16H23N3O/c1-6-17-11(2)14-18-19-15(20-14)12-7-9-13(10-8-12)16(3,4)5/h7-11,17H,6H2,1-5H3
InChIKeyXVEGXTIJJMESQN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.70
Rot. Bonds4

About 1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (PubChem CID 62163927) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
PubChem CID62163927
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(-c2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C16H23N3O/c1-6-17-11(2)14-18-19-15(20-14)12-7-9-13(10-8-12)16(3,4)5/h7-11,17H,6H2,1-5H3
InChIKeyXVEGXTIJJMESQN-UHFFFAOYSA-N
XLogP3.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62164275
2-(1-bromopropyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 62856200
1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163232
5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 136710833
1-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 63195183
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62164103
N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62164274
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957
2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane
CID 157226539
1-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62162522
4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 102504984
1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol
CID 20846901

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (CID 62163927) is 1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is CCNC(C)c1nnc(-c2ccc(C(C)(C)C)cc2)o1.
What is the InChIKey of 1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The InChIKey is XVEGXTIJJMESQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-6-17-11(2)14-18-19-15(20-14)12-7-9-13(10-8-12)16(3,4)5/h7-11,17H,6H2,1-5H3.
What are the key properties of 1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 62163927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).