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

C16H23N3O — CID 63350989

IUPACN-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(Cc1nc(Cc2cccc(C)c2)no1)NC
InChIInChI=1S/C16H23N3O/c1-4-6-14(17-3)11-16-18-15(19-20-16)10-13-8-5-7-12(2)9-13/h5,7-9,14,17H,4,6,10-11H2,1-3H3
InChIKeyAPWICGIKZGOOAL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.90
Rot. Bonds7

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

N-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63350989) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63350989
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(Cc1nc(Cc2cccc(C)c2)no1)NC
InChIInChI=1S/C16H23N3O/c1-4-6-14(17-3)11-16-18-15(19-20-16)10-13-8-5-7-12(2)9-13/h5,7-9,14,17H,4,6,10-11H2,1-3H3
InChIKeyAPWICGIKZGOOAL-UHFFFAOYSA-N
XLogP2.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63350334
1-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63350532
2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080556
1-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 63352437
1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63348390
3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63351206
3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 115081504
1-amino-2-methyl-3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 66001988
N-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 62365728
N,4-dimethyl-3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63351247
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349735
3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540050

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63350989) is N-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(Cc1nc(Cc2cccc(C)c2)no1)NC.
What is the InChIKey of N-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is APWICGIKZGOOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-6-14(17-3)11-16-18-15(19-20-16)10-13-8-5-7-12(2)9-13/h5,7-9,14,17H,4,6,10-11H2,1-3H3.
What are the key properties of N-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63350989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).