3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide

C14H18N4O2 — CID 106369913

IUPAC3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2nc(C)c(C)o2)c(N)c1
InChIInChI=1S/C14H18N4O2/c1-8-9(2)20-13(18-8)7-17-12-5-4-10(6-11(12)15)14(19)16-3/h4-6,17H,7,15H2,1-3H3,(H,16,19)
InChIKeyUYDSIALBWFBYOP-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.85
Rot. Bonds4

About 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide

3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide (PubChem CID 106369913) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide
PubChem CID106369913
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2nc(C)c(C)o2)c(N)c1
InChIInChI=1S/C14H18N4O2/c1-8-9(2)20-13(18-8)7-17-12-5-4-10(6-11(12)15)14(19)16-3/h4-6,17H,7,15H2,1-3H3,(H,16,19)
InChIKeyUYDSIALBWFBYOP-UHFFFAOYSA-N
XLogP1.85
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
CID 106392912
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 106369923
3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide
CID 115989165
3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 82992380
methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate
CID 99824042
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
CID 82988834
3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide
CID 82989252
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-iodobenzene-1,4-diamine
CID 106369876
4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
CID 106369993
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-4-nitrobenzamide
CID 106374095
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114180477

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide (CID 106369913) is 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(NCc2nc(C)c(C)o2)c(N)c1.
What is the InChIKey of 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide?
The InChIKey is UYDSIALBWFBYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-9(2)20-13(18-8)7-17-12-5-4-10(6-11(12)15)14(19)16-3/h4-6,17H,7,15H2,1-3H3,(H,16,19).
What are the key properties of 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide?
3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 106369913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).