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

C12H15N5O2 — CID 106392912

IUPAC3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2noc(C)n2)c(N)c1
InChIInChI=1S/C12H15N5O2/c1-7-16-11(17-19-7)6-15-10-4-3-8(5-9(10)13)12(18)14-2/h3-5,15H,6,13H2,1-2H3,(H,14,18)
InChIKeyDMXDLAPNSWLQCH-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.93
Rot. Bonds4

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

3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide (PubChem CID 106392912) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
PubChem CID106392912
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2noc(C)n2)c(N)c1
InChIInChI=1S/C12H15N5O2/c1-7-16-11(17-19-7)6-15-10-4-3-8(5-9(10)13)12(18)14-2/h3-5,15H,6,13H2,1-2H3,(H,14,18)
InChIKeyDMXDLAPNSWLQCH-UHFFFAOYSA-N
XLogP0.93
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.93
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

3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide
CID 106369913
5-amino-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzoic acid
CID 106407259
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
CID 82988834
3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide
CID 82989252
3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 82992380
3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide
CID 115989165
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide
CID 106408291
4,5-dimethoxy-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2-diamine
CID 106393136
4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 102978698
3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413272
1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone
CID 106393014

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide?
The IUPAC name of 3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide (CID 106392912) is 3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide?
The canonical SMILES for 3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide is CNC(=O)c1ccc(NCc2noc(C)n2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide?
The InChIKey is DMXDLAPNSWLQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-16-11(17-19-7)6-15-10-4-3-8(5-9(10)13)12(18)14-2/h3-5,15H,6,13H2,1-2H3,(H,14,18).
What are the key properties of 3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide?
3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide has a molecular weight of 261.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide is sourced from PubChem (CID 106392912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).