2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide

C12H15N5O2 — CID 106422586

IUPAC2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
SMILESCc1nc(CCNc2ccc(N)c(C(N)=O)c2)no1
InChIInChI=1S/C12H15N5O2/c1-7-16-11(17-19-7)4-5-15-8-2-3-10(13)9(6-8)12(14)18/h2-3,6,15H,4-5,13H2,1H3,(H2,14,18)
InChIKeyFJHLYWJJTCRDIH-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.71
Rot. Bonds5

About 2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide

2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide (PubChem CID 106422586) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide.

Molecular Properties

Compound Name2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
PubChem CID106422586
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
SMILESCc1nc(CCNc2ccc(N)c(C(N)=O)c2)no1
InChIInChI=1S/C12H15N5O2/c1-7-16-11(17-19-7)4-5-15-8-2-3-10(13)9(6-8)12(14)18/h2-3,6,15H,4-5,13H2,1H3,(H2,14,18)
InChIKeyFJHLYWJJTCRDIH-UHFFFAOYSA-N
XLogP0.71
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone
CID 106393014
2-amino-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 114185740
4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 102978698
6-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413961
2-amino-5-(2-methylsulfonylethylamino)benzamide
CID 61312641
5-(2-acetamidoethylamino)-2-aminobenzamide
CID 61306771
5-fluoro-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzenecarbothioamide
CID 106418026
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 106422577
3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413272
2-amino-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106422845
2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide
CID 106262491
2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide
CID 114539587

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
The IUPAC name of 2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide (CID 106422586) is 2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide.
What is the SMILES notation for 2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
The canonical SMILES for 2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide is Cc1nc(CCNc2ccc(N)c(C(N)=O)c2)no1.
What is the InChIKey of 2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
The InChIKey is FJHLYWJJTCRDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-16-11(17-19-7)4-5-15-8-2-3-10(13)9(6-8)12(14)18/h2-3,6,15H,4-5,13H2,1H3,(H2,14,18).
What are the key properties of 2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide has a molecular weight of 261.29 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide is sourced from PubChem (CID 106422586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).