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

C17H19N3O — CID 62818521

IUPACN-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCCNC(C)(C)c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C17H19N3O/c1-4-18-17(2,3)16-19-15(20-21-16)14-10-9-12-7-5-6-8-13(12)11-14/h5-11,18H,4H2,1-3H3
InChIKeyOMACXLDUKSFPDL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.73
Rot. Bonds4

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

N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 62818521) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID62818521
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCCNC(C)(C)c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C17H19N3O/c1-4-18-17(2,3)16-19-15(20-21-16)14-10-9-12-7-5-6-8-13(12)11-14/h5-11,18H,4H2,1-3H3
InChIKeyOMACXLDUKSFPDL-UHFFFAOYSA-N
XLogP3.73
TPSA50.95 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

2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62818337
N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62819040
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 63089538
N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62818520
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 103442627
N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63841516
(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
2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 63561633
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62819214
N-ethyl-2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 116743752
3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921186

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 62818521) is N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is CCNC(C)(C)c1nc(-c2ccc3ccccc3c2)no1.
What is the InChIKey of N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is OMACXLDUKSFPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-18-17(2,3)16-19-15(20-21-16)14-10-9-12-7-5-6-8-13(12)11-14/h5-11,18H,4H2,1-3H3.
What are the key properties of N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-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 N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 62818521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).