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

C15H15N3O — CID 94549155

IUPAC(1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC[C@H](N)c1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C15H15N3O/c1-2-13(16)15-17-14(18-19-15)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2,16H2,1H3/t13-/m0/s1
InChIKeyNJPHNTZESJMTTB-ZDUSSCGKSA-N
MW253.31 g/mol
LogP3.30
Rot. Bonds3

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

(1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 94549155) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID94549155
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC[C@H](N)c1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C15H15N3O/c1-2-13(16)15-17-14(18-19-15)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2,16H2,1H3/t13-/m0/s1
InChIKeyNJPHNTZESJMTTB-ZDUSSCGKSA-N
XLogP3.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.30
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
2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62717069
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
(1R)-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94420580
(1S)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565281
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347498
(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947822
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 130992107

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of (1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 94549155) is (1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CC[C@H](N)c1nc(-c2cccc3ccccc23)no1.
What is the InChIKey of (1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is NJPHNTZESJMTTB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-13(16)15-17-14(18-19-15)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2,16H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
(1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 94549155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).