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

C16H17N3O — CID 62717069

IUPAC2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)C(N)c1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C16H17N3O/c1-10(2)14(17)16-18-15(19-20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,17H2,1-2H3
InChIKeyHWXJCEJQOIKPQT-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.55
Rot. Bonds3

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

2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 62717069) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID62717069
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)C(N)c1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C16H17N3O/c1-10(2)14(17)16-18-15(19-20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,17H2,1-2H3
InChIKeyHWXJCEJQOIKPQT-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63352229
(1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 94549155
1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 82624860
3-amino-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 62715873
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63346107
3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836843
(1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836841
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
(1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 94352485
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347498

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 62717069) is 2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CC(C)C(N)c1nc(-c2cccc3ccccc23)no1.
What is the InChIKey of 2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is HWXJCEJQOIKPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10(2)14(17)16-18-15(19-20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,17H2,1-2H3.
What are the key properties of 2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 62717069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).