4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide

C16H19N3O3 — CID 8622910

IUPAC4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCc2c(C)noc2C)cc1
InChIInChI=1S/C16H19N3O3/c1-10-14(11(2)22-19-10)8-9-15(20)18-13-6-4-12(5-7-13)16(21)17-3/h4-7H,8-9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyKZSIUIJXPFKLMN-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.22
Rot. Bonds5

About 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide

4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide (PubChem CID 8622910) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide
PubChem CID8622910
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCc2c(C)noc2C)cc1
InChIInChI=1S/C16H19N3O3/c1-10-14(11(2)22-19-10)8-9-15(20)18-13-6-4-12(5-7-13)16(21)17-3/h4-7H,8-9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyKZSIUIJXPFKLMN-UHFFFAOYSA-N
XLogP2.22
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide?
The IUPAC name of 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide (CID 8622910) is 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide?
The canonical SMILES for 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CCc2c(C)noc2C)cc1.
What is the InChIKey of 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide?
The InChIKey is KZSIUIJXPFKLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-14(11(2)22-19-10)8-9-15(20)18-13-6-4-12(5-7-13)16(21)17-3/h4-7H,8-9H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide?
4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide has a molecular weight of 301.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 8622910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).