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

C16H23N3O — CID 103827365

IUPAC1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C16H23N3O/c1-11(17-10-15-18-12(2)20-19-15)13-6-8-14(9-7-13)16(3,4)5/h6-9,11,17H,10H2,1-5H3
InChIKeyDHUVFGLZKDWEKP-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.53
Rot. Bonds4

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

1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 103827365) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID103827365
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C16H23N3O/c1-11(17-10-15-18-12(2)20-19-15)13-6-8-14(9-7-13)16(3,4)5/h6-9,11,17H,10H2,1-5H3
InChIKeyDHUVFGLZKDWEKP-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 107911783
1-(3,4-dichlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 113350417
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103912882
(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 107911793
1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106392043
4-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 4233230
(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103916398
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 113350444
1-(5-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391684
5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol
CID 114182895
1-(2,4-dibromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391621
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 103721585

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 103827365) is 1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is Cc1nc(CNC(C)c2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is DHUVFGLZKDWEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(17-10-15-18-12(2)20-19-15)13-6-8-14(9-7-13)16(3,4)5/h6-9,11,17H,10H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 103827365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).