N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine

C16H18N4O — CID 114755467

IUPACN-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine
SMILESCc1cc(-c2noc(NCC(C)C)n2)nc2ccccc12
InChIInChI=1S/C16H18N4O/c1-10(2)9-17-16-19-15(20-21-16)14-8-11(3)12-6-4-5-7-13(12)18-14/h4-8,10H,9H2,1-3H3,(H,17,19,20)
InChIKeyUQQBOCVWWFBFQQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.66
Rot. Bonds4

About N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine

N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 114755467) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine
PubChem CID114755467
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine
SMILESCc1cc(-c2noc(NCC(C)C)n2)nc2ccccc12
InChIInChI=1S/C16H18N4O/c1-10(2)9-17-16-19-15(20-21-16)14-8-11(3)12-6-4-5-7-13(12)18-14/h4-8,10H,9H2,1-3H3,(H,17,19,20)
InChIKeyUQQBOCVWWFBFQQ-UHFFFAOYSA-N
XLogP3.66
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 63950701
3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 114754512
2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 114754519
3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 114755531
3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 107504477
3-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 55096436
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 121222906
N-(2-methylpropyl)-3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-amine
CID 63084528
N-(2-methylpropyl)-3-(3-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 62595787
2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 154841410
N-ethyl-6-methyl-2-(4-methylquinolin-2-yl)pyrimidin-4-amine
CID 114755419
4-methyl-6-(4-methylquinolin-2-yl)-1,3,5-triazin-2-amine
CID 114755546

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine (CID 114755467) is N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine is Cc1cc(-c2noc(NCC(C)C)n2)nc2ccccc12.
What is the InChIKey of N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is UQQBOCVWWFBFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10(2)9-17-16-19-15(20-21-16)14-8-11(3)12-6-4-5-7-13(12)18-14/h4-8,10H,9H2,1-3H3,(H,17,19,20).
What are the key properties of N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine?
N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 282.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 114755467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).