4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide

C16H19N3O5 — CID 110495682

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide
SMILESCNC(=O)CONC(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C16H19N3O5/c1-10-14(11(2)24-18-10)8-22-13-6-4-12(5-7-13)16(21)19-23-9-15(20)17-3/h4-7H,8-9H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyYWHPCXOIIQPSGE-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.28
Rot. Bonds7

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide (PubChem CID 110495682) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide
PubChem CID110495682
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide
SMILESCNC(=O)CONC(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C16H19N3O5/c1-10-14(11(2)24-18-10)8-22-13-6-4-12(5-7-13)16(21)19-23-9-15(20)17-3/h4-7H,8-9H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyYWHPCXOIIQPSGE-UHFFFAOYSA-N
XLogP1.28
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2635286
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 7535370
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 7971440
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78773318
N'-(cyclopropanecarbonyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 34259031
methyl 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 34754685
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31264698
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 9292301
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
[2-(dimethylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7625862
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide (CID 110495682) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide is CNC(=O)CONC(=O)c1ccc(OCc2c(C)noc2C)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide?
The InChIKey is YWHPCXOIIQPSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-10-14(11(2)24-18-10)8-22-13-6-4-12(5-7-13)16(21)19-23-9-15(20)17-3/h4-7H,8-9H2,1-3H3,(H,17,20)(H,19,21).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide has a molecular weight of 333.34 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 110495682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).