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

C15H16N4O — CID 62875418

IUPACN-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCCCNCc1nnc(-c2cccc3ncccc23)o1
InChIInChI=1S/C15H16N4O/c1-2-8-16-10-14-18-19-15(20-14)12-5-3-7-13-11(12)6-4-9-17-13/h3-7,9,16H,2,8,10H2,1H3
InChIKeyIWQIGBPDKBQVGT-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.78
Rot. Bonds5

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

N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (PubChem CID 62875418) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
PubChem CID62875418
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCCCNCc1nnc(-c2cccc3ncccc23)o1
InChIInChI=1S/C15H16N4O/c1-2-8-16-10-14-18-19-15(20-14)12-5-3-7-13-11(12)6-4-9-17-13/h3-7,9,16H,2,8,10H2,1H3
InChIKeyIWQIGBPDKBQVGT-UHFFFAOYSA-N
XLogP2.78
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
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 N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (CID 62875418) is N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is CCCNCc1nnc(-c2cccc3ncccc23)o1.
What is the InChIKey of N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The InChIKey is IWQIGBPDKBQVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-8-16-10-14-18-19-15(20-14)12-5-3-7-13-11(12)6-4-9-17-13/h3-7,9,16H,2,8,10H2,1H3.
What are the key properties of N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62875418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).