1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine

C14H19N3O — CID 62648040

IUPAC1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C14H19N3O/c1-4-11(15)8-13-16-14(18-17-13)12-6-5-9(2)7-10(12)3/h5-7,11H,4,8,15H2,1-3H3
InChIKeyCSMPNRPCHJAHGJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.63
Rot. Bonds4

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

1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 62648040) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID62648040
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C14H19N3O/c1-4-11(15)8-13-16-14(18-17-13)12-6-5-9(2)7-10(12)3/h5-7,11H,4,8,15H2,1-3H3
InChIKeyCSMPNRPCHJAHGJ-UHFFFAOYSA-N
XLogP2.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323958
1-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 65463046
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334501
1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 114018605
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 90939332
1-[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62645547
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 81476585
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 62337907
1-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 55161983
1-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62647161
1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 65100845
1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine
CID 62876085

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 62648040) is 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(N)Cc1noc(-c2ccc(C)cc2C)n1.
What is the InChIKey of 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is CSMPNRPCHJAHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-11(15)8-13-16-14(18-17-13)12-6-5-9(2)7-10(12)3/h5-7,11H,4,8,15H2,1-3H3.
What are the key properties of 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 62648040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).