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

C13H11N3O — CID 70701467

IUPACN-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C13H11N3O/c1-14-13-16-15-12(17-13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,14,16)
InChIKeyMJHPOHMOSWCARL-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.93
Rot. Bonds2

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

N-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine (PubChem CID 70701467) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is N-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine
PubChem CID70701467
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC NameN-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C13H11N3O/c1-14-13-16-15-12(17-13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,14,16)
InChIKeyMJHPOHMOSWCARL-UHFFFAOYSA-N
XLogP2.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mls002694980
CID 259799
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 7244114
2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7597012
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597268
N-(5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4141139
2-(1-Naphthyl)-5-phenyl-1,3,4-oxadiazole
CID 522928
1,3,4-Oxadiazole, 2-amino-5-(o-tolyl)-
CID 15637
5-(2,4-Dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 20120079
N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-2-methylbenzamide
CID 3426335
N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 4047136
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597258
2-(2-Methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole
CID 259797

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine (CID 70701467) is N-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine is CNc1nnc(-c2cccc3ccccc23)o1.
What is the InChIKey of N-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is MJHPOHMOSWCARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-14-13-16-15-12(17-13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,14,16).
What are the key properties of N-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine?
N-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-naphthalen-1-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 70701467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).