5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C10H12N4O — CID 115747800

IUPAC5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2ccccc2N)n1
InChIInChI=1S/C10H12N4O/c1-14(2)10-12-9(15-13-10)7-5-3-4-6-8(7)11/h3-6H,11H2,1-2H3
InChIKeySBMAFLWKKCISDR-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.38
Rot. Bonds2

About 5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 115747800) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID115747800
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2ccccc2N)n1
InChIInChI=1S/C10H12N4O/c1-14(2)10-12-9(15-13-10)7-5-3-4-6-8(7)11/h3-6H,11H2,1-2H3
InChIKeySBMAFLWKKCISDR-UHFFFAOYSA-N
XLogP1.38
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799524
N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine
CID 116799675
5-(3-aminothiophen-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799632
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114016525
5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799523
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104797778
2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61261410
2-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114329249
5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115747822
2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65196544
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886124
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43329885

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 115747800) is 5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(-c2ccccc2N)n1.
What is the InChIKey of 5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is SBMAFLWKKCISDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14(2)10-12-9(15-13-10)7-5-3-4-6-8(7)11/h3-6H,11H2,1-2H3.
What are the key properties of 5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 204.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 115747800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).