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

C16H17N3O — CID 63351950

IUPAC3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(N)C(C)c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C16H17N3O/c1-10(11(2)17)16-18-15(19-20-16)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,17H2,1-2H3
InChIKeyMRRGRPXPJOUKSO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.34
Rot. Bonds3

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

3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 63351950) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID63351950
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(N)C(C)c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C16H17N3O/c1-10(11(2)17)16-18-15(19-20-16)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,17H2,1-2H3
InChIKeyMRRGRPXPJOUKSO-UHFFFAOYSA-N
XLogP3.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 63561633
(1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104899417
2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 62715364
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
CID 120835072
3-amino-3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 62716743
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120833726
3-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106847414
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63352229
(1R)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901602
3-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 120835627
3-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 114329314
methyl 4-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 120841371

Frequently Asked Questions

What is the IUPAC name of 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 63351950) is 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is CC(N)C(C)c1nc(-c2ccc3ccccc3c2)no1.
What is the InChIKey of 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is MRRGRPXPJOUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10(11(2)17)16-18-15(19-20-16)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,17H2,1-2H3.
What are the key properties of 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 63351950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).