N-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine

C19H22N4O2 — CID 56789684

IUPACN-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESCC(c1nc(-c2cccnc2)no1)N(C)CCCOc1ccccc1
InChIInChI=1S/C19H22N4O2/c1-15(19-21-18(22-25-19)16-8-6-11-20-14-16)23(2)12-7-13-24-17-9-4-3-5-10-17/h3-6,8-11,14-15H,7,12-13H2,1-2H3
InChIKeyIISLHEBJVJEDDP-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.59
Rot. Bonds8

About N-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine

N-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 56789684) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
PubChem CID56789684
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESCC(c1nc(-c2cccnc2)no1)N(C)CCCOc1ccccc1
InChIInChI=1S/C19H22N4O2/c1-15(19-21-18(22-25-19)16-8-6-11-20-14-16)23(2)12-7-13-24-17-9-4-3-5-10-17/h3-6,8-11,14-15H,7,12-13H2,1-2H3
InChIKeyIISLHEBJVJEDDP-UHFFFAOYSA-N
XLogP3.59
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 N-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (CID 56789684) is N-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is CC(c1nc(-c2cccnc2)no1)N(C)CCCOc1ccccc1.
What is the InChIKey of N-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is IISLHEBJVJEDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15(19-21-18(22-25-19)16-8-6-11-20-14-16)23(2)12-7-13-24-17-9-4-3-5-10-17/h3-6,8-11,14-15H,7,12-13H2,1-2H3.
What are the key properties of N-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
N-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 338.41 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 56789684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).