N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine

C12H14N2O — CID 65239645

IUPACN-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCNCc1cnoc1-c1ccccc1C
InChIInChI=1S/C12H14N2O/c1-9-5-3-4-6-11(9)12-10(7-13-2)8-14-15-12/h3-6,8,13H,7H2,1-2H3
InChIKeyAYTCPKIZYYBQPK-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.37
Rot. Bonds3

About N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine

N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 65239645) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine
PubChem CID65239645
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCNCc1cnoc1-c1ccccc1C
InChIInChI=1S/C12H14N2O/c1-9-5-3-4-6-11(9)12-10(7-13-2)8-14-15-12/h3-6,8,13H,7H2,1-2H3
InChIKeyAYTCPKIZYYBQPK-UHFFFAOYSA-N
XLogP2.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine 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

Isoxazole, 5-phenyl-
CID 136800
5-(P-Tolyl)isoxazole
CID 270015
N-methyl-4-phenyl-1,2-oxazol-5-amine
CID 118895094
4,5,6-trihydro-2H-benzo[6,7]cyclohepta[2,1-d]isoxazole
CID 45112902
N-cyclopropyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 110647274
4,5-Diphenylisoxazole
CID 291189
N-methyl-4-phenyl-1,2-oxazole-5-carboxamide
CID 145953664
4-Phenyl-1,2-oxazole-5-carboxamide
CID 145957647
4-(4-Fluorophenyl)-5-methyl-1,2-oxazole
CID 130439192
4-Methyl-5-phenylisoxazole
CID 569957
5-Methyl-4-phenylisoxazole
CID 594379
4-Fluoro-5-phenyl-1,2-oxazole
CID 91697420

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine (CID 65239645) is N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine is CNCc1cnoc1-c1ccccc1C.
What is the InChIKey of N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is AYTCPKIZYYBQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-5-3-4-6-11(9)12-10(7-13-2)8-14-15-12/h3-6,8,13H,7H2,1-2H3.
What are the key properties of N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine?
N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 65239645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).