5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide

C13H15N3O2 — CID 68802211

IUPAC5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2)oc1CN
InChIInChI=1S/C13H15N3O2/c1-9-11(7-14)18-13(16-9)12(17)15-8-10-5-3-2-4-6-10/h2-6H,7-8,14H2,1H3,(H,15,17)
InChIKeyJOUJXHDVSZNVPS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.37
Rot. Bonds4

About 5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide

5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide (PubChem CID 68802211) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide
PubChem CID68802211
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2)oc1CN
InChIInChI=1S/C13H15N3O2/c1-9-11(7-14)18-13(16-9)12(17)15-8-10-5-3-2-4-6-10/h2-6H,7-8,14H2,1H3,(H,15,17)
InChIKeyJOUJXHDVSZNVPS-UHFFFAOYSA-N
XLogP1.37
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide
CID 68805700
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760258
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide
CID 714012
N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104839
N-benzyl-5-methyl-1H-imidazole-4-carboxamide
CID 71320720
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 16949912
N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471451
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide (CID 68802211) is 5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide is Cc1nc(C(=O)NCc2ccccc2)oc1CN.
What is the InChIKey of 5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide?
The InChIKey is JOUJXHDVSZNVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-11(7-14)18-13(16-9)12(17)15-8-10-5-3-2-4-6-10/h2-6H,7-8,14H2,1H3,(H,15,17).
What are the key properties of 5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide?
5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 68802211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).