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

C12H15N5O2 — CID 106393963

IUPAC4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)c(NCCc2ncon2)c1
InChIInChI=1S/C12H15N5O2/c1-14-12(18)8-2-3-9(13)10(6-8)15-5-4-11-16-7-19-17-11/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,18)
InChIKeyZZDIFSWIWZLSDT-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.67
Rot. Bonds5

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

4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide (PubChem CID 106393963) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
PubChem CID106393963
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)c(NCCc2ncon2)c1
InChIInChI=1S/C12H15N5O2/c1-14-12(18)8-2-3-9(13)10(6-8)15-5-4-11-16-7-19-17-11/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,18)
InChIKeyZZDIFSWIWZLSDT-UHFFFAOYSA-N
XLogP0.67
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.67
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

4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106103991
3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106391732
4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106394006
3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106409151
4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
CID 55190894
4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106393935
4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide
CID 106426373
4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
CID 63357269
3-methylsulfonyl-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394075
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087
2-chloro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,4-diamine
CID 106394049
4-methyl-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,3-diamine
CID 106394127

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
The IUPAC name of 4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide (CID 106393963) is 4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
The canonical SMILES for 4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide is CNC(=O)c1ccc(N)c(NCCc2ncon2)c1.
What is the InChIKey of 4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
The InChIKey is ZZDIFSWIWZLSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-14-12(18)8-2-3-9(13)10(6-8)15-5-4-11-16-7-19-17-11/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,18).
What are the key properties of 4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide has a molecular weight of 261.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide is sourced from PubChem (CID 106393963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).