2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide

C13H14ClN3O2 — CID 71857453

IUPAC2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2ncc(C)o2)cc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-8-6-17-12(19-8)7-16-9-3-4-10(11(14)5-9)13(18)15-2/h3-6,16H,7H2,1-2H3,(H,15,18)
InChIKeyGLYCGXUCEQFIKT-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.61
Rot. Bonds4

About 2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide

2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide (PubChem CID 71857453) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
PubChem CID71857453
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2ncc(C)o2)cc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-8-6-17-12(19-8)7-16-9-3-4-10(11(14)5-9)13(18)15-2/h3-6,16H,7H2,1-2H3,(H,15,18)
InChIKeyGLYCGXUCEQFIKT-UHFFFAOYSA-N
XLogP2.61
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide?
The IUPAC name of 2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide (CID 71857453) is 2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide is CNC(=O)c1ccc(NCc2ncc(C)o2)cc1Cl.
What is the InChIKey of 2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide?
The InChIKey is GLYCGXUCEQFIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-6-17-12(19-8)7-16-9-3-4-10(11(14)5-9)13(18)15-2/h3-6,16H,7H2,1-2H3,(H,15,18).
What are the key properties of 2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide?
2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide has a molecular weight of 279.73 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 71857453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).