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

C15H21N3O2 — CID 62505441

IUPAC3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2cc(C)ccc2OC)n1
InChIInChI=1S/C15H21N3O2/c1-5-15(16,6-2)14-17-13(20-18-14)11-9-10(3)7-8-12(11)19-4/h7-9H,5-6,16H2,1-4H3
InChIKeyRSWSGMUDSUDIJA-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.03
Rot. Bonds5

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

3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 62505441) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID62505441
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2cc(C)ccc2OC)n1
InChIInChI=1S/C15H21N3O2/c1-5-15(16,6-2)14-17-13(20-18-14)11-9-10(3)7-8-12(11)19-4/h7-9H,5-6,16H2,1-4H3
InChIKeyRSWSGMUDSUDIJA-UHFFFAOYSA-N
XLogP3.03
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 62505441) is 3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(-c2cc(C)ccc2OC)n1.
What is the InChIKey of 3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is RSWSGMUDSUDIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-15(16,6-2)14-17-13(20-18-14)11-9-10(3)7-8-12(11)19-4/h7-9H,5-6,16H2,1-4H3.
What are the key properties of 3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 275.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 62505441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).