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

C13H15N3O2 — CID 47124661

IUPAC4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide
SMILESCc1cc(CNCc2ccc(C(N)=O)cc2)no1
InChIInChI=1S/C13H15N3O2/c1-9-6-12(16-18-9)8-15-7-10-2-4-11(5-3-10)13(14)17/h2-6,15H,7-8H2,1H3,(H2,14,17)
InChIKeyGXZLSRADSDRXEE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.37
Rot. Bonds5

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

4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide (PubChem CID 47124661) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide
PubChem CID47124661
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide
SMILESCc1cc(CNCc2ccc(C(N)=O)cc2)no1
InChIInChI=1S/C13H15N3O2/c1-9-6-12(16-18-9)8-15-7-10-2-4-11(5-3-10)13(14)17/h2-6,15H,7-8H2,1H3,(H2,14,17)
InChIKeyGXZLSRADSDRXEE-UHFFFAOYSA-N
XLogP1.37
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid
CID 103243740
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702122
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 81465783
N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47729435
2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile
CID 146091745
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243727
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608825
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
N,N-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60698204
4-[(furan-3-ylmethylamino)methyl]benzamide
CID 47272463
N-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60695514
6-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 62160023

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide?
The IUPAC name of 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide (CID 47124661) is 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide is Cc1cc(CNCc2ccc(C(N)=O)cc2)no1.
What is the InChIKey of 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide?
The InChIKey is GXZLSRADSDRXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-6-12(16-18-9)8-15-7-10-2-4-11(5-3-10)13(14)17/h2-6,15H,7-8H2,1H3,(H2,14,17).
What are the key properties of 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide?
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 47124661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).