3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide

C22H19ClF2N2O3 — CID 89157321

IUPAC3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide
SMILESC=CCc1oc(CCCOc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClF2N2O3/c1-2-4-17-21(13-6-8-14(23)9-7-13)27-18(30-17)5-3-12-29-16-11-10-15(24)19(20(16)25)22(26)28/h2,6-11H,1,3-5,12H2,(H2,26,28)
InChIKeyKDBRCUAJESXSLQ-UHFFFAOYSA-N
MW432.85 g/mol
LogP5.11
Rot. Bonds9

About 3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide

3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide (PubChem CID 89157321) has the molecular formula C22H19ClF2N2O3 and a molecular weight of 432.85 g/mol. Its IUPAC name is 3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide
PubChem CID89157321
Molecular FormulaC22H19ClF2N2O3
Molecular Weight432.85 g/mol
Exact Mass432.11
IUPAC Name3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide
SMILESC=CCc1oc(CCCOc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClF2N2O3/c1-2-4-17-21(13-6-8-14(23)9-7-13)27-18(30-17)5-3-12-29-16-11-10-15(24)19(20(16)25)22(26)28/h2,6-11H,1,3-5,12H2,(H2,26,28)
InChIKeyKDBRCUAJESXSLQ-UHFFFAOYSA-N
XLogP5.11
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.85
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide (CID 89157321) is 3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide is C=CCc1oc(CCCOc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide?
The InChIKey is KDBRCUAJESXSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O3/c1-2-4-17-21(13-6-8-14(23)9-7-13)27-18(30-17)5-3-12-29-16-11-10-15(24)19(20(16)25)22(26)28/h2,6-11H,1,3-5,12H2,(H2,26,28).
What are the key properties of 3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide?
3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide has a molecular weight of 432.85 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 89157321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).