4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide

C21H19ClFN3O3 — CID 38955686

IUPAC4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1
InChIInChI=1S/C21H19ClFN3O3/c1-26(2)21(28)13-7-8-15(22)17(11-13)25-19(27)9-10-20-24-12-18(29-20)14-5-3-4-6-16(14)23/h3-8,11-12H,9-10H2,1-2H3,(H,25,27)
InChIKeyCJOFDGDVOJSDHQ-UHFFFAOYSA-N
MW415.85 g/mol
LogP4.41
Rot. Bonds6

About 4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide

4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide (PubChem CID 38955686) has the molecular formula C21H19ClFN3O3 and a molecular weight of 415.85 g/mol. Its IUPAC name is 4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide
PubChem CID38955686
Molecular FormulaC21H19ClFN3O3
Molecular Weight415.85 g/mol
Exact Mass415.11
IUPAC Name4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1
InChIInChI=1S/C21H19ClFN3O3/c1-26(2)21(28)13-7-8-15(22)17(11-13)25-19(27)9-10-20-24-12-18(29-20)14-5-3-4-6-16(14)23/h3-8,11-12H,9-10H2,1-2H3,(H,25,27)
InChIKeyCJOFDGDVOJSDHQ-UHFFFAOYSA-N
XLogP4.41
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide (CID 38955686) is 4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1.
What is the InChIKey of 4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide?
The InChIKey is CJOFDGDVOJSDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O3/c1-26(2)21(28)13-7-8-15(22)17(11-13)25-19(27)9-10-20-24-12-18(29-20)14-5-3-4-6-16(14)23/h3-8,11-12H,9-10H2,1-2H3,(H,25,27).
What are the key properties of 4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide?
4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide has a molecular weight of 415.85 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 38955686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).