[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine

C7H13N3O — CID 131071267

IUPAC[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine
SMILESCN(C)Cc1nc(CN)co1
InChIInChI=1S/C7H13N3O/c1-10(2)4-7-9-6(3-8)5-11-7/h5H,3-4,8H2,1-2H3
InChIKeyXLYZRTVNKRYLPM-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.19
Rot. Bonds3

About [2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine

[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine (PubChem CID 131071267) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine
PubChem CID131071267
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine
SMILESCN(C)Cc1nc(CN)co1
InChIInChI=1S/C7H13N3O/c1-10(2)4-7-9-6(3-8)5-11-7/h5H,3-4,8H2,1-2H3
InChIKeyXLYZRTVNKRYLPM-UHFFFAOYSA-N
XLogP0.19
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(dimethylamino)methyl]-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

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine (CID 131071267) is [2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine is CN(C)Cc1nc(CN)co1.
What is the InChIKey of [2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine?
The InChIKey is XLYZRTVNKRYLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-10(2)4-7-9-6(3-8)5-11-7/h5H,3-4,8H2,1-2H3.
What are the key properties of [2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine?
[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine has a molecular weight of 155.20 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 131071267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).