2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide

C10H11N5O2 — CID 106407353

IUPAC2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2ncon2)c1N
InChIInChI=1S/C10H11N5O2/c11-9-6(10(12)16)2-1-3-7(9)13-4-8-14-5-17-15-8/h1-3,5,13H,4,11H2,(H2,12,16)
InChIKeyMUJIVBHNEMTWEB-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.36
Rot. Bonds4

About 2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide

2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide (PubChem CID 106407353) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide
PubChem CID106407353
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2ncon2)c1N
InChIInChI=1S/C10H11N5O2/c11-9-6(10(12)16)2-1-3-7(9)13-4-8-14-5-17-15-8/h1-3,5,13H,4,11H2,(H2,12,16)
InChIKeyMUJIVBHNEMTWEB-UHFFFAOYSA-N
XLogP0.36
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.36
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

2-(1,2,4-oxadiazol-3-ylmethylamino)benzoic acid
CID 106400670
2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
CID 106393454
2-chloro-6-(1,2,4-oxadiazol-3-ylmethylamino)benzenecarbothioamide
CID 106399671
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647
2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106391343
2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106397156
2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 113332915
2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
2-amino-3-[(3-bromophenyl)methylamino]benzamide
CID 113332669
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
CID 106402474
2-amino-3-(2-methylsulfonylethylamino)benzamide
CID 115544080
3-fluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394045

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide?
The IUPAC name of 2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide (CID 106407353) is 2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide.
What is the SMILES notation for 2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide?
The canonical SMILES for 2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide is NC(=O)c1cccc(NCc2ncon2)c1N.
What is the InChIKey of 2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide?
The InChIKey is MUJIVBHNEMTWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-9-6(10(12)16)2-1-3-7(9)13-4-8-14-5-17-15-8/h1-3,5,13H,4,11H2,(H2,12,16).
What are the key properties of 2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide?
2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide has a molecular weight of 233.23 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide is sourced from PubChem (CID 106407353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).