5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine

C12H10N4O — CID 65418134

IUPAC5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2cc3ccccc3cc2N)n1
InChIInChI=1S/C12H10N4O/c13-10-6-8-4-2-1-3-7(8)5-9(10)11-15-12(14)16-17-11/h1-6H,13H2,(H2,14,16)
InChIKeyHRBPJGRKQWTMDC-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.05
Rot. Bonds1

About 5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine

5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 65418134) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine
PubChem CID65418134
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2cc3ccccc3cc2N)n1
InChIInChI=1S/C12H10N4O/c13-10-6-8-4-2-1-3-7(8)5-9(10)11-15-12(14)16-17-11/h1-6H,13H2,(H2,14,16)
InChIKeyHRBPJGRKQWTMDC-UHFFFAOYSA-N
XLogP2.05
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 29041458
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 60921785
5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine
CID 65418129
5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine
CID 63691181
5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
CID 65417275
5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine
CID 107992789
3-(7-bromo-1,3-benzoxazol-2-yl)naphthalen-2-amine
CID 81496235
3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
CID 115079196
5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine
CID 65416842
5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 63692248
4,5-difluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62865373
2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
CID 919828

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine (CID 65418134) is 5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine is Nc1noc(-c2cc3ccccc3cc2N)n1.
What is the InChIKey of 5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is HRBPJGRKQWTMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-10-6-8-4-2-1-3-7(8)5-9(10)11-15-12(14)16-17-11/h1-6H,13H2,(H2,14,16).
What are the key properties of 5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine?
5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 226.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 65418134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).