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

C16H21N3O2 — CID 134702961

IUPAC4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide
SMILESCCc1noc(NC(=O)c2ccc(CN(C)C)cc2)c1C
InChIInChI=1S/C16H21N3O2/c1-5-14-11(2)16(21-18-14)17-15(20)13-8-6-12(7-9-13)10-19(3)4/h6-9H,5,10H2,1-4H3,(H,17,20)
InChIKeyXWYQINSINWOHJM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.86
Rot. Bonds5

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

4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 134702961) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID134702961
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide
SMILESCCc1noc(NC(=O)c2ccc(CN(C)C)cc2)c1C
InChIInChI=1S/C16H21N3O2/c1-5-14-11(2)16(21-18-14)17-15(20)13-8-6-12(7-9-13)10-19(3)4/h6-9H,5,10H2,1-4H3,(H,17,20)
InChIKeyXWYQINSINWOHJM-UHFFFAOYSA-N
XLogP2.86
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
4-[(dimethylamino)methyl]-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 115692357
4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide
CID 61393919
N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide
CID 31416592
4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide
CID 142775988
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
N-tert-butyl-4-[(dimethylamino)methyl]benzamide
CID 60699335
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide
CID 17429705
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101746

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide (CID 134702961) is 4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide is CCc1noc(NC(=O)c2ccc(CN(C)C)cc2)c1C.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is XWYQINSINWOHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-14-11(2)16(21-18-14)17-15(20)13-8-6-12(7-9-13)10-19(3)4/h6-9H,5,10H2,1-4H3,(H,17,20).
What are the key properties of 4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide?
4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 287.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 134702961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).