1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine

C16H23N3O — CID 86919174

IUPAC1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
SMILESCCc1ccc(C(NCc2nc(C)no2)C(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-5-13-6-8-14(9-7-13)16(11(2)3)17-10-15-18-12(4)19-20-15/h6-9,11,16-17H,5,10H2,1-4H3
InChIKeyNSUAHOCNHAUMIS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.43
Rot. Bonds6

About 1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine

1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine (PubChem CID 86919174) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
PubChem CID86919174
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
SMILESCCc1ccc(C(NCc2nc(C)no2)C(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-5-13-6-8-14(9-7-13)16(11(2)3)17-10-15-18-12(4)19-20-15/h6-9,11,16-17H,5,10H2,1-4H3
InChIKeyNSUAHOCNHAUMIS-UHFFFAOYSA-N
XLogP3.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 86922268
N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 16566320
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine
CID 43081080
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 114991150
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 61014998
2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol
CID 43103836
1-[1-(4-ethylphenyl)ethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56822950
2-methyl-1-[4-(2-methylpropyl)phenyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 78836201
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine
CID 112815116
1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014465
4-(4-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 61013750
(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 97335822

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine (CID 86919174) is 1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine is CCc1ccc(C(NCc2nc(C)no2)C(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is NSUAHOCNHAUMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-13-6-8-14(9-7-13)16(11(2)3)17-10-15-18-12(4)19-20-15/h6-9,11,16-17H,5,10H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 86919174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).