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

C12H14N4O3 — CID 61141152

IUPAC5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1nc(C)no1
InChIInChI=1S/C12H14N4O3/c1-7-15-11(19-16-7)6-14-12(17)9-5-8(13)3-4-10(9)18-2/h3-5H,6,13H2,1-2H3,(H,14,17)
InChIKeyUQUCORJJAFCNAT-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.90
Rot. Bonds4

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

5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 61141152) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID61141152
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1nc(C)no1
InChIInChI=1S/C12H14N4O3/c1-7-15-11(19-16-7)6-14-12(17)9-5-8(13)3-4-10(9)18-2/h3-5H,6,13H2,1-2H3,(H,14,17)
InChIKeyUQUCORJJAFCNAT-UHFFFAOYSA-N
XLogP0.90
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368719
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide
CID 63116744
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830021
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 81316418
5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304703
4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 61127981
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300
5-amino-N-(furan-3-ylmethyl)-2-methoxybenzamide
CID 113228275
5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61093193
5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611
5-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 61090906

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 61141152) is 5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is COc1ccc(N)cc1C(=O)NCc1nc(C)no1.
What is the InChIKey of 5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is UQUCORJJAFCNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-15-11(19-16-7)6-14-12(17)9-5-8(13)3-4-10(9)18-2/h3-5H,6,13H2,1-2H3,(H,14,17).
What are the key properties of 5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 262.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 61141152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).