5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide

C10H10N4O2 — CID 102790109

IUPAC5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCc1c(N)cccc1-c1nc(C(N)=O)no1
InChIInChI=1S/C10H10N4O2/c1-5-6(3-2-4-7(5)11)10-13-9(8(12)15)14-16-10/h2-4H,11H2,1H3,(H2,12,15)
InChIKeyOKGALCJKDMRNEO-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.73
Rot. Bonds2

About 5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide

5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790109) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790109
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCc1c(N)cccc1-c1nc(C(N)=O)no1
InChIInChI=1S/C10H10N4O2/c1-5-6(3-2-4-7(5)11)10-13-9(8(12)15)14-16-10/h2-4H,11H2,1H3,(H2,12,15)
InChIKeyOKGALCJKDMRNEO-UHFFFAOYSA-N
XLogP0.73
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.73
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

5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide
CID 126666922
5-(5-amino-2,3-dimethylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790237
5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790321
5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790092
3-[5-(3-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330655
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 55151915
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790355
2-methyl-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 62947735
[2-[3-(3-amino-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-chlorophenyl)methanone
CID 19330668
3-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 100558702
ethyl 5-(2,3-dichlorophenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379232
3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116701543

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide (CID 102790109) is 5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide is Cc1c(N)cccc1-c1nc(C(N)=O)no1.
What is the InChIKey of 5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is OKGALCJKDMRNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-5-6(3-2-4-7(5)11)10-13-9(8(12)15)14-16-10/h2-4H,11H2,1H3,(H2,12,15).
What are the key properties of 5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide?
5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 218.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).