2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine

C17H19N3O — CID 63561633

IUPAC2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
SMILESCCC(N)C(C)c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C17H19N3O/c1-3-15(18)11(2)17-19-16(20-21-17)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15H,3,18H2,1-2H3
InChIKeySLCQGWWMTGIUOB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.73
Rot. Bonds4

About 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine

2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine (PubChem CID 63561633) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine.

Molecular Properties

Compound Name2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
PubChem CID63561633
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
SMILESCCC(N)C(C)c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C17H19N3O/c1-3-15(18)11(2)17-19-16(20-21-17)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15H,3,18H2,1-2H3
InChIKeySLCQGWWMTGIUOB-UHFFFAOYSA-N
XLogP3.73
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63351950
2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 62715364
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 82802644
2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 107504642
3-amino-3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 62716743
(1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104899417
2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 115531419
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65197757
(1S)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104900102
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
CID 120835072
2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103084077
(1R)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901602

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
The IUPAC name of 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine (CID 63561633) is 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine.
What is the SMILES notation for 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
The canonical SMILES for 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine is CCC(N)C(C)c1nc(-c2ccc3ccccc3c2)no1.
What is the InChIKey of 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
The InChIKey is SLCQGWWMTGIUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-15(18)11(2)17-19-16(20-21-17)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15H,3,18H2,1-2H3.
What are the key properties of 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine has a molecular weight of 281.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine is sourced from PubChem (CID 63561633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).