N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine

C16H23N3O — CID 166203852

IUPACN-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2nc(C(C)C)no2)cc1
InChIInChI=1S/C16H23N3O/c1-5-19(6-2)11-13-7-9-14(10-8-13)16-17-15(12(3)4)18-20-16/h7-10,12H,5-6,11H2,1-4H3
InChIKeyWDOOPFNRZOUJNF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.70
Rot. Bonds6

About N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine

N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine (PubChem CID 166203852) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
PubChem CID166203852
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2nc(C(C)C)no2)cc1
InChIInChI=1S/C16H23N3O/c1-5-19(6-2)11-13-7-9-14(10-8-13)16-17-15(12(3)4)18-20-16/h7-10,12H,5-6,11H2,1-4H3
InChIKeyWDOOPFNRZOUJNF-UHFFFAOYSA-N
XLogP3.70
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[4-(diethylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862052
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323780
1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 110933059
4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 86886639
2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
CID 23010469
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61323785
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633581
5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 82489563
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 42290566
2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28541006
2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine (CID 166203852) is N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(-c2nc(C(C)C)no2)cc1.
What is the InChIKey of N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine?
The InChIKey is WDOOPFNRZOUJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-19(6-2)11-13-7-9-14(10-8-13)16-17-15(12(3)4)18-20-16/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine?
N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 166203852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).