N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine

C16H18N4O — CID 62874406

IUPACN-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(-c2cccc3cccnc23)o1
InChIInChI=1S/C16H18N4O/c1-3-9-17-11(2)15-19-20-16(21-15)13-8-4-6-12-7-5-10-18-14(12)13/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyHVHYNCIBSANZJW-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.35
Rot. Bonds5

About N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine

N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine (PubChem CID 62874406) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
PubChem CID62874406
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(-c2cccc3cccnc23)o1
InChIInChI=1S/C16H18N4O/c1-3-9-17-11(2)15-19-20-16(21-15)13-8-4-6-12-7-5-10-18-14(12)13/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyHVHYNCIBSANZJW-UHFFFAOYSA-N
XLogP3.35
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol
CID 82830527
N-[1-[5-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 107952660
N-[1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62163410
N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 104615660
N-[1-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163060
N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62164274
3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 55039801
N-[1-[5-(3-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62164794
N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62162718
N-(2-methoxy-1-quinolin-8-ylethyl)propan-1-amine
CID 81231808
N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163596
1-[5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107526136

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine (CID 62874406) is N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine is CCCNC(C)c1nnc(-c2cccc3cccnc23)o1.
What is the InChIKey of N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is HVHYNCIBSANZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-9-17-11(2)15-19-20-16(21-15)13-8-4-6-12-7-5-10-18-14(12)13/h4-8,10-11,17H,3,9H2,1-2H3.
What are the key properties of N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62874406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).