[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine

C12H14N2O — CID 79139044

IUPAC[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine
SMILESCc1ccc(-c2ocnc2CN)c(C)c1
InChIInChI=1S/C12H14N2O/c1-8-3-4-10(9(2)5-8)12-11(6-13)14-7-15-12/h3-5,7H,6,13H2,1-2H3
InChIKeyCTUVZGQLEKUFQM-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.42
Rot. Bonds2

About [5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine

[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79139044) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is [5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine
PubChem CID79139044
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine
SMILESCc1ccc(-c2ocnc2CN)c(C)c1
InChIInChI=1S/C12H14N2O/c1-8-3-4-10(9(2)5-8)12-11(6-13)14-7-15-12/h3-5,7H,6,13H2,1-2H3
InChIKeyCTUVZGQLEKUFQM-UHFFFAOYSA-N
XLogP2.42
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2,4-dimethylphenyl)-1,3-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

1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 79139851
[5-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 81117951
[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139840
[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139844
[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139636
N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79146041
[5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139040
[5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
CID 103407154
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323958
[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methanamine
CID 79139245
N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 106864643
[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 107952860

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine (CID 79139044) is [5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine is Cc1ccc(-c2ocnc2CN)c(C)c1.
What is the InChIKey of [5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is CTUVZGQLEKUFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-3-4-10(9(2)5-8)12-11(6-13)14-7-15-12/h3-5,7H,6,13H2,1-2H3.
What are the key properties of [5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine?
[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79139044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).