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

C17H19N3O — CID 104899417

IUPAC(1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)(C)[C@@H](N)c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C17H19N3O/c1-17(2,3)14(18)16-19-15(20-21-16)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14H,18H2,1-3H3/t14-/m0/s1
InChIKeyFSTGXZXAXURZON-AWEZNQCLSA-N
MW281.36 g/mol
LogP3.94
Rot. Bonds2

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

(1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 104899417) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID104899417
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)(C)[C@@H](N)c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C17H19N3O/c1-17(2,3)14(18)16-19-15(20-21-16)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14H,18H2,1-3H3/t14-/m0/s1
InChIKeyFSTGXZXAXURZON-AWEZNQCLSA-N
XLogP3.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(Naphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidine
CID 62715191
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2-Phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
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2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
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1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(1-naphthylmethyl)methanamine
CID 16190159
5-Diethylcarbamoyl-3-alpha-naphthyl-1,2,4-oxadiazole
CID 326292
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 3243008
2-(4-methylphenyl)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
CID 6459958
2-(biphenyl-4-yl)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
CID 8034487
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46963502
(2S)-2-[3-(6-octylnaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 137653344
3-naphthalen-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900527

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 104899417) is (1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CC(C)(C)[C@@H](N)c1nc(-c2ccc3ccccc3c2)no1.
What is the InChIKey of (1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is FSTGXZXAXURZON-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(2,3)14(18)16-19-15(20-21-16)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14H,18H2,1-3H3/t14-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
(1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 104899417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).