2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

C15H16N4O — CID 65221531

IUPAC2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC(CN)c1nc(-c2ccc3ncccc3c2)no1
InChIInChI=1S/C15H16N4O/c1-2-10(9-16)15-18-14(19-20-15)12-5-6-13-11(8-12)4-3-7-17-13/h3-8,10H,2,9,16H2,1H3
InChIKeyFWZVHOIIJBZLIC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.74
Rot. Bonds4

About 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 65221531) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID65221531
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC(CN)c1nc(-c2ccc3ncccc3c2)no1
InChIInChI=1S/C15H16N4O/c1-2-10(9-16)15-18-14(19-20-15)12-5-6-13-11(8-12)4-3-7-17-13/h3-8,10H,2,9,16H2,1H3
InChIKeyFWZVHOIIJBZLIC-UHFFFAOYSA-N
XLogP2.74
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 63095950
(1S)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104900102
(1R)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901602
1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63349181
2-amino-2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63097003
5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 71088319
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115533112
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222995
2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 63561633
2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 62715364
3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 63096652
2-methoxy-N-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63758117

Frequently Asked Questions

What is the IUPAC name of 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 65221531) is 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CCC(CN)c1nc(-c2ccc3ncccc3c2)no1.
What is the InChIKey of 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is FWZVHOIIJBZLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-10(9-16)15-18-14(19-20-15)12-5-6-13-11(8-12)4-3-7-17-13/h3-8,10H,2,9,16H2,1H3.
What are the key properties of 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 65221531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).