N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

C16H17N3O — CID 62716729

IUPACN-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCNCCCc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C16H17N3O/c1-17-11-5-10-15-18-16(19-20-15)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,17H,5,10-11H2,1H3
InChIKeyLPVLAPMFYKTFNN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.04
Rot. Bonds5

About N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 62716729) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID62716729
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCNCCCc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C16H17N3O/c1-17-11-5-10-15-18-16(19-20-15)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,17H,5,10-11H2,1H3
InChIKeyLPVLAPMFYKTFNN-UHFFFAOYSA-N
XLogP3.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62098241
3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 63950448
N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114876515
4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346200
2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 63771665
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104797709
3-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 107923497
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62944820
N-(2,6-dimethylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761441
N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761406
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 62716729) is N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CNCCCc1nc(-c2cccc3ccccc23)no1.
What is the InChIKey of N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is LPVLAPMFYKTFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-17-11-5-10-15-18-16(19-20-15)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,17H,5,10-11H2,1H3.
What are the key properties of N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 62716729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).