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

C14H19N3O — CID 101187836

IUPAC5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine
SMILESCCC(CC)Nc1noc(-c2ccc(C)cc2)n1
InChIInChI=1S/C14H19N3O/c1-4-12(5-2)15-14-16-13(18-17-14)11-8-6-10(3)7-9-11/h6-9,12H,4-5H2,1-3H3,(H,15,17)
InChIKeyQVTZECBBYAGTNK-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.65
Rot. Bonds5

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

5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine (PubChem CID 101187836) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine
PubChem CID101187836
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine
SMILESCCC(CC)Nc1noc(-c2ccc(C)cc2)n1
InChIInChI=1S/C14H19N3O/c1-4-12(5-2)15-14-16-13(18-17-14)11-8-6-10(3)7-9-11/h6-9,12H,4-5H2,1-3H3,(H,15,17)
InChIKeyQVTZECBBYAGTNK-UHFFFAOYSA-N
XLogP3.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine (CID 101187836) is 5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine is CCC(CC)Nc1noc(-c2ccc(C)cc2)n1.
What is the InChIKey of 5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine?
The InChIKey is QVTZECBBYAGTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-12(5-2)15-14-16-13(18-17-14)11-8-6-10(3)7-9-11/h6-9,12H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine?
5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine has a molecular weight of 245.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-pentan-3-yl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 101187836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).