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

C15H21N3O — CID 63347349

IUPACN,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCNC(Cc1nc(-c2ccc(C)cc2)no1)C(C)C
InChIInChI=1S/C15H21N3O/c1-10(2)13(16-4)9-14-17-15(18-19-14)12-7-5-11(3)6-8-12/h5-8,10,13,16H,9H2,1-4H3
InChIKeySNHWWHKFRAWZDD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.83
Rot. Bonds5

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

N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63347349) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63347349
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCNC(Cc1nc(-c2ccc(C)cc2)no1)C(C)C
InChIInChI=1S/C15H21N3O/c1-10(2)13(16-4)9-14-17-15(18-19-14)12-7-5-11(3)6-8-12/h5-8,10,13,16H,9H2,1-4H3
InChIKeySNHWWHKFRAWZDD-UHFFFAOYSA-N
XLogP2.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 106793440
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 79718812
5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 154661009
N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 55203186
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 63348126
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 103445454
N,N-dimethyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116799824
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 107924519
N-methyl-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347445
N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809385
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 6460247
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63347349) is N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CNC(Cc1nc(-c2ccc(C)cc2)no1)C(C)C.
What is the InChIKey of N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is SNHWWHKFRAWZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)13(16-4)9-14-17-15(18-19-14)12-7-5-11(3)6-8-12/h5-8,10,13,16H,9H2,1-4H3.
What are the key properties of N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63347349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).