N-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C17H18N4O2 — CID 53037158

IUPACN-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCOCCCNc1ccc(-c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C17H18N4O2/c1-22-11-5-10-18-15-9-8-14(12-19-15)17-20-16(21-23-17)13-6-3-2-4-7-13/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,19)
InChIKeyHJUSFINPXRDJML-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.25
Rot. Bonds7

About N-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 53037158) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID53037158
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCOCCCNc1ccc(-c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C17H18N4O2/c1-22-11-5-10-18-15-9-8-14(12-19-15)17-20-16(21-23-17)13-6-3-2-4-7-13/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,19)
InChIKeyHJUSFINPXRDJML-UHFFFAOYSA-N
XLogP3.25
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
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-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 53037158) is N-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is COCCCNc1ccc(-c2nc(-c3ccccc3)no2)cn1.
What is the InChIKey of N-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is HJUSFINPXRDJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-22-11-5-10-18-15-9-8-14(12-19-15)17-20-16(21-23-17)13-6-3-2-4-7-13/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,19).
What are the key properties of N-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 310.36 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 53037158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).