3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one

C15H15N3O2 — CID 137256653

IUPAC3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one
SMILESC[C@H](c1cccc2ccccc12)[C@H](N)c1noc(=O)[nH]1
InChIInChI=1S/C15H15N3O2/c1-9(13(16)14-17-15(19)20-18-14)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,16H2,1H3,(H,17,18,19)/t9-,13+/m1/s1
InChIKeyLGHDZRWJLSIYKY-RNCFNFMXSA-N
MW269.30 g/mol
LogP2.32
Rot. Bonds3

About 3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one

3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 137256653) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID137256653
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one
SMILESC[C@H](c1cccc2ccccc12)[C@H](N)c1noc(=O)[nH]1
InChIInChI=1S/C15H15N3O2/c1-9(13(16)14-17-15(19)20-18-14)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,16H2,1H3,(H,17,18,19)/t9-,13+/m1/s1
InChIKeyLGHDZRWJLSIYKY-RNCFNFMXSA-N
XLogP2.32
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-naphthalen-1-ylbutane-1,2-diamine
CID 142736205
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
2-fluoro-3-naphthalen-1-ylbutanoic acid
CID 81357950
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62717069
1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
CID 57238705
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
[(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135809561
1-(3-chloropentan-2-yl)naphthalene
CID 79308301

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one (CID 137256653) is 3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one is C[C@H](c1cccc2ccccc12)[C@H](N)c1noc(=O)[nH]1.
What is the InChIKey of 3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is LGHDZRWJLSIYKY-RNCFNFMXSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9(13(16)14-17-15(19)20-18-14)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,16H2,1H3,(H,17,18,19)/t9-,13+/m1/s1.
What are the key properties of 3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one?
3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 269.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-1-amino-2-naphthalen-1-ylpropyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 137256653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).