3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide

C23H19F2N3O4S — CID 16594033

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)n2)c(OC)c1
InChIInChI=1S/C23H19F2N3O4S/c1-30-14-4-6-16(19(10-14)31-2)18-12-33-23(27-18)28-21(29)7-8-22-26-11-20(32-22)15-5-3-13(24)9-17(15)25/h3-6,9-12H,7-8H2,1-2H3,(H,27,28,29)
InChIKeyDUDUDVYOISPZHO-UHFFFAOYSA-N
MW471.49 g/mol
LogP5.33
Rot. Bonds8

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 16594033) has the molecular formula C23H19F2N3O4S and a molecular weight of 471.49 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID16594033
Molecular FormulaC23H19F2N3O4S
Molecular Weight471.49 g/mol
Exact Mass471.11
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)n2)c(OC)c1
InChIInChI=1S/C23H19F2N3O4S/c1-30-14-4-6-16(19(10-14)31-2)18-12-33-23(27-18)28-21(29)7-8-22-26-11-20(32-22)15-5-3-13(24)9-17(15)25/h3-6,9-12H,7-8H2,1-2H3,(H,27,28,29)
InChIKeyDUDUDVYOISPZHO-UHFFFAOYSA-N
XLogP5.33
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.49
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 16594033) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)n2)c(OC)c1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is DUDUDVYOISPZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O4S/c1-30-14-4-6-16(19(10-14)31-2)18-12-33-23(27-18)28-21(29)7-8-22-26-11-20(32-22)15-5-3-13(24)9-17(15)25/h3-6,9-12H,7-8H2,1-2H3,(H,27,28,29).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 471.49 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 16594033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).