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

C11H12N4O3 — CID 114182758

IUPAC2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cc(O)ccc2N)no1
InChIInChI=1S/C11H12N4O3/c1-6-14-10(15-18-6)5-13-11(17)8-4-7(16)2-3-9(8)12/h2-4,16H,5,12H2,1H3,(H,13,17)
InChIKeyNAOMTFXZWSLWMC-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.60
Rot. Bonds3

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

2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (PubChem CID 114182758) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
PubChem CID114182758
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cc(O)ccc2N)no1
InChIInChI=1S/C11H12N4O3/c1-6-14-10(15-18-6)5-13-11(17)8-4-7(16)2-3-9(8)12/h2-4,16H,5,12H2,1H3,(H,13,17)
InChIKeyNAOMTFXZWSLWMC-UHFFFAOYSA-N
XLogP0.60
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106391337
3,5-dihydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 103892543
2-amino-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 114183521
4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106409248
4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106409201
1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone
CID 106393014
3-amino-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 114182742
2-(2-aminoethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106396658
2-(3-aminoprop-1-ynyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106406816
4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 102978698
2-amino-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106422845
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-carboxamide
CID 103714838

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (CID 114182758) is 2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is Cc1nc(CNC(=O)c2cc(O)ccc2N)no1.
What is the InChIKey of 2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is NAOMTFXZWSLWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-6-14-10(15-18-6)5-13-11(17)8-4-7(16)2-3-9(8)12/h2-4,16H,5,12H2,1H3,(H,13,17).
What are the key properties of 2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 248.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is sourced from PubChem (CID 114182758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).