4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline

C11H13N3O — CID 103746517

IUPAC4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
SMILESCc1ccc(NCc2noc(C)n2)cc1
InChIInChI=1S/C11H13N3O/c1-8-3-5-10(6-4-8)12-7-11-13-9(2)15-14-11/h3-6,12H,7H2,1-2H3
InChIKeyLWOABIADBKIGDO-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.30
Rot. Bonds3

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

4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline (PubChem CID 103746517) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
PubChem CID103746517
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
SMILESCc1ccc(NCc2noc(C)n2)cc1
InChIInChI=1S/C11H13N3O/c1-8-3-5-10(6-4-8)12-7-11-13-9(2)15-14-11/h3-6,12H,7H2,1-2H3
InChIKeyLWOABIADBKIGDO-UHFFFAOYSA-N
XLogP2.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline 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

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide
CID 106402805
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetonitrile
CID 107911565
4-bromo-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741978
2,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741958
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 106398305
3-iodo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746525
2-chloro-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103768023
2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 114183772
(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 107911783
2,2-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzodioxol-5-amine
CID 103741999
4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)aniline
CID 103741987
2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 113253697

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The IUPAC name of 4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline (CID 103746517) is 4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The canonical SMILES for 4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline is Cc1ccc(NCc2noc(C)n2)cc1.
What is the InChIKey of 4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The InChIKey is LWOABIADBKIGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-3-5-10(6-4-8)12-7-11-13-9(2)15-14-11/h3-6,12H,7H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline has a molecular weight of 203.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline is sourced from PubChem (CID 103746517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).