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

C17H19N3O — CID 63771665

IUPAC2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C17H19N3O/c1-17(2,3)18-11-15-19-16(20-21-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,18H,11H2,1-3H3
InChIKeyKBOYYJTZPCONBZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.78
Rot. Bonds3

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

2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine (PubChem CID 63771665) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
PubChem CID63771665
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C17H19N3O/c1-17(2,3)18-11-15-19-16(20-21-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,18H,11H2,1-3H3
InChIKeyKBOYYJTZPCONBZ-UHFFFAOYSA-N
XLogP3.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 115279651
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62716729
N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62818341
4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346200
1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63344511
1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63344557
2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63839477
N-(2,6-dimethylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761441
2,2,2-trifluoro-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 78914987
N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761406
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine (CID 63771665) is 2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine is CC(C)(C)NCc1nc(-c2cccc3ccccc23)no1.
What is the InChIKey of 2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The InChIKey is KBOYYJTZPCONBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(2,3)18-11-15-19-16(20-21-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,18H,11H2,1-3H3.
What are the key properties of 2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 63771665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).