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

C16H17N3O — CID 62818341

IUPACN-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCNC(C)(C)c1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C16H17N3O/c1-16(2,17-3)15-18-14(19-20-15)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,17H,1-3H3
InChIKeyISVUWWNPLXDOFF-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.34
Rot. Bonds3

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

N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 62818341) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID62818341
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCNC(C)(C)c1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C16H17N3O/c1-16(2,17-3)15-18-14(19-20-15)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,17H,1-3H3
InChIKeyISVUWWNPLXDOFF-UHFFFAOYSA-N
XLogP3.34
TPSA50.95 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 ≤ 53.34
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
3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914912
N-isopropyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenylpropanamide
CID 1250310
2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 2988103
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
Isopropyl-(3-p-tolyl-[1,2,4]oxadiazol-5-ylmethyl)-amine
CID 957364
2-(4-methylphenyl)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
CID 6459958
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 6460359
2-(biphenyl-4-yl)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
CID 8034487
(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 N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 62818341) is N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is CNC(C)(C)c1nc(-c2cccc3ccccc23)no1.
What is the InChIKey of N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is ISVUWWNPLXDOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-16(2,17-3)15-18-14(19-20-15)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,17H,1-3H3.
What are the key properties of N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 62818341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).