3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine

C15H29N3O2 — CID 65093849

IUPAC3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1nc(CCCOC)no1)C(C)C
InChIInChI=1S/C15H29N3O2/c1-6-9-16-12(4)14(11(2)3)15-17-13(18-20-15)8-7-10-19-5/h11-12,14,16H,6-10H2,1-5H3
InChIKeyMTBZJIPOVBHLRL-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.78
Rot. Bonds10

About 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine

3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine (PubChem CID 65093849) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine
PubChem CID65093849
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1nc(CCCOC)no1)C(C)C
InChIInChI=1S/C15H29N3O2/c1-6-9-16-12(4)14(11(2)3)15-17-13(18-20-15)8-7-10-19-5/h11-12,14,16H,6-10H2,1-5H3
InChIKeyMTBZJIPOVBHLRL-UHFFFAOYSA-N
XLogP2.78
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine (CID 65093849) is 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine is CCCNC(C)C(c1nc(CCCOC)no1)C(C)C.
What is the InChIKey of 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine?
The InChIKey is MTBZJIPOVBHLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-6-9-16-12(4)14(11(2)3)15-17-13(18-20-15)8-7-10-19-5/h11-12,14,16H,6-10H2,1-5H3.
What are the key properties of 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine?
3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 65093849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).