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

C12H14N4O2 — CID 106393014

IUPAC1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone
SMILESCC(=O)c1cc(NCc2noc(C)n2)ccc1N
InChIInChI=1S/C12H14N4O2/c1-7(17)10-5-9(3-4-11(10)13)14-6-12-15-8(2)18-16-12/h3-5,14H,6,13H2,1-2H3
InChIKeyONSRZEVANGCUKS-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.77
Rot. Bonds4

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

1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone (PubChem CID 106393014) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone
PubChem CID106393014
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone
SMILESCC(=O)c1cc(NCc2noc(C)n2)ccc1N
InChIInChI=1S/C12H14N4O2/c1-7(17)10-5-9(3-4-11(10)13)14-6-12-15-8(2)18-16-12/h3-5,14H,6,13H2,1-2H3
InChIKeyONSRZEVANGCUKS-UHFFFAOYSA-N
XLogP1.77
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106422586
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2-nitrobenzoic acid
CID 106400542
4-bromo-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741978
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2-(trifluoromethyl)benzoic acid
CID 106409510
5-amino-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzoic acid
CID 106407259
2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 114182758
4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746517
1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone
CID 104612748
1-[2-amino-5-[(5-bromothiophen-2-yl)methylamino]phenyl]ethanone
CID 113433041
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide
CID 106402805
3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
CID 106392912
1-[2-amino-5-(2-methylpropylamino)phenyl]ethanone
CID 104612186

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone (CID 106393014) is 1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone is CC(=O)c1cc(NCc2noc(C)n2)ccc1N.
What is the InChIKey of 1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone?
The InChIKey is ONSRZEVANGCUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7(17)10-5-9(3-4-11(10)13)14-6-12-15-8(2)18-16-12/h3-5,14H,6,13H2,1-2H3.
What are the key properties of 1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone?
1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone has a molecular weight of 246.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone is sourced from PubChem (CID 106393014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).