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

C13H16N2O — CID 79139851

IUPAC1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1ncoc1-c1ccc(C)cc1C
InChIInChI=1S/C13H16N2O/c1-9-4-5-11(10(2)6-9)13-12(7-14-3)15-8-16-13/h4-6,8,14H,7H2,1-3H3
InChIKeyGCJRWFVOSBKQRG-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.68
Rot. Bonds3

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

1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine (PubChem CID 79139851) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
PubChem CID79139851
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1ncoc1-c1ccc(C)cc1C
InChIInChI=1S/C13H16N2O/c1-9-4-5-11(10(2)6-9)13-12(7-14-3)15-8-16-13/h4-6,8,14H,7H2,1-3H3
InChIKeyGCJRWFVOSBKQRG-UHFFFAOYSA-N
XLogP2.68
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine (CID 79139851) is 1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine is CNCc1ncoc1-c1ccc(C)cc1C.
What is the InChIKey of 1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is GCJRWFVOSBKQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-4-5-11(10(2)6-9)13-12(7-14-3)15-8-16-13/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine has a molecular weight of 216.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 79139851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).