2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

C11H12N4O2 — CID 106391343

IUPAC2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2ncon2)c1N
InChIInChI=1S/C11H12N4O2/c1-7-3-2-4-8(10(7)12)11(16)13-5-9-14-6-17-15-9/h2-4,6H,5,12H2,1H3,(H,13,16)
InChIKeyPBWWWKMJMCSJKP-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.89
Rot. Bonds3

About 2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (PubChem CID 106391343) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
PubChem CID106391343
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2ncon2)c1N
InChIInChI=1S/C11H12N4O2/c1-7-3-2-4-8(10(7)12)11(16)13-5-9-14-6-17-15-9/h2-4,6H,5,12H2,1H3,(H,13,16)
InChIKeyPBWWWKMJMCSJKP-UHFFFAOYSA-N
XLogP0.89
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.89
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

2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106397156
2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
CID 106410065
5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399961
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006
3,6-dimethyl-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)benzoic acid
CID 106394631
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
CID 106402474
N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide
CID 106406322
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62321573
2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 114185135
3-(methylamino)-2-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106408432

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (CID 106391343) is 2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is Cc1cccc(C(=O)NCc2ncon2)c1N.
What is the InChIKey of 2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The InChIKey is PBWWWKMJMCSJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-3-2-4-8(10(7)12)11(16)13-5-9-14-6-17-15-9/h2-4,6H,5,12H2,1H3,(H,13,16).
What are the key properties of 2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide has a molecular weight of 232.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is sourced from PubChem (CID 106391343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).