5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide

C15H19N3O2 — CID 106368562

IUPAC5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
SMILESCCc1cnc(CNC(=O)c2cc(N)c(C)cc2C)o1
InChIInChI=1S/C15H19N3O2/c1-4-11-7-17-14(20-11)8-18-15(19)12-6-13(16)10(3)5-9(12)2/h5-7H,4,8,16H2,1-3H3,(H,18,19)
InChIKeyWNAHWRNVCDQBKE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.37
Rot. Bonds4

About 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide

5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide (PubChem CID 106368562) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
PubChem CID106368562
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
SMILESCCc1cnc(CNC(=O)c2cc(N)c(C)cc2C)o1
InChIInChI=1S/C15H19N3O2/c1-4-11-7-17-14(20-11)8-18-15(19)12-6-13(16)10(3)5-9(12)2/h5-7H,4,8,16H2,1-3H3,(H,18,19)
InChIKeyWNAHWRNVCDQBKE-UHFFFAOYSA-N
XLogP2.37
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 106368458
5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide
CID 104890839
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377037
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 106372873
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106377464
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
CID 102705730
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106375670
2-(4-aminopyrazol-1-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 114179908
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 106375981
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide (CID 106368562) is 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide is CCc1cnc(CNC(=O)c2cc(N)c(C)cc2C)o1.
What is the InChIKey of 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide?
The InChIKey is WNAHWRNVCDQBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-11-7-17-14(20-11)8-18-15(19)12-6-13(16)10(3)5-9(12)2/h5-7H,4,8,16H2,1-3H3,(H,18,19).
What are the key properties of 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide?
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide has a molecular weight of 273.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 106368562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).