1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine

C15H22N4O — CID 120893373

IUPAC1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine
SMILESCC(C)C(c1nc(-c2ccc(CN)cc2)no1)N(C)C
InChIInChI=1S/C15H22N4O/c1-10(2)13(19(3)4)15-17-14(18-20-15)12-7-5-11(9-16)6-8-12/h5-8,10,13H,9,16H2,1-4H3
InChIKeyOTJVADYRTGQQNB-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.45
Rot. Bonds5

About 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine

1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine (PubChem CID 120893373) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine
PubChem CID120893373
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine
SMILESCC(C)C(c1nc(-c2ccc(CN)cc2)no1)N(C)C
InChIInChI=1S/C15H22N4O/c1-10(2)13(19(3)4)15-17-14(18-20-15)12-7-5-11(9-16)6-8-12/h5-8,10,13H,9,16H2,1-4H3
InChIKeyOTJVADYRTGQQNB-UHFFFAOYSA-N
XLogP2.45
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119999979
N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride
CID 120892494
N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 120893433
[4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892639
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685798
[4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893106
2-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 120842109
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135912791
2-methyl-1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43625121
3-(4-ethylphenyl)-5-[(1R)-1-methylsulfonylethyl]-1,2,4-oxadiazole
CID 99827635
4-[5-[(1R)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenol
CID 136775541

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine (CID 120893373) is 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine is CC(C)C(c1nc(-c2ccc(CN)cc2)no1)N(C)C.
What is the InChIKey of 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine?
The InChIKey is OTJVADYRTGQQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)13(19(3)4)15-17-14(18-20-15)12-7-5-11(9-16)6-8-12/h5-8,10,13H,9,16H2,1-4H3.
What are the key properties of 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine?
1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 120893373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).