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

C15H21N3O — CID 61323785

IUPAC1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H21N3O/c1-4-5-13(16)14-17-15(19-18-14)12-8-6-11(7-9-12)10(2)3/h6-10,13H,4-5,16H2,1-3H3
InChIKeyBPKFWZZATATWIL-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.66
Rot. Bonds5

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

1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine (PubChem CID 61323785) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
PubChem CID61323785
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H21N3O/c1-4-5-13(16)14-17-15(19-18-14)12-8-6-11(7-9-12)10(2)3/h6-10,13H,4-5,16H2,1-3H3
InChIKeyBPKFWZZATATWIL-UHFFFAOYSA-N
XLogP3.66
TPSA64.94 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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323780
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325011
2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217
4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 61325213
2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633580
1-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 63195096
1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 107992698
5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710759
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62278430
1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 80641531
1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62920470
1-[5-(2,3-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61326456

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The IUPAC name of 1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine (CID 61323785) is 1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The canonical SMILES for 1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine is CCCC(N)c1noc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of 1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The InChIKey is BPKFWZZATATWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-5-13(16)14-17-15(19-18-14)12-8-6-11(7-9-12)10(2)3/h6-10,13H,4-5,16H2,1-3H3.
What are the key properties of 1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine is sourced from PubChem (CID 61323785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).