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

C23H20FN3O4S — CID 16594034

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2)c(OC)c1
InChIInChI=1S/C23H20FN3O4S/c1-29-14-7-8-16(19(11-14)30-2)18-13-32-23(26-18)27-21(28)9-10-22-25-12-20(31-22)15-5-3-4-6-17(15)24/h3-8,11-13H,9-10H2,1-2H3,(H,26,27,28)
InChIKeyHMPFYKYOKGAZHA-UHFFFAOYSA-N
MW453.50 g/mol
LogP5.19
Rot. Bonds8

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

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16594034) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16594034
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2)c(OC)c1
InChIInChI=1S/C23H20FN3O4S/c1-29-14-7-8-16(19(11-14)30-2)18-13-32-23(26-18)27-21(28)9-10-22-25-12-20(31-22)15-5-3-4-6-17(15)24/h3-8,11-13H,9-10H2,1-2H3,(H,26,27,28)
InChIKeyHMPFYKYOKGAZHA-UHFFFAOYSA-N
XLogP5.19
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16594034) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is COc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is HMPFYKYOKGAZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c1-29-14-7-8-16(19(11-14)30-2)18-13-32-23(26-18)27-21(28)9-10-22-25-12-20(31-22)15-5-3-4-6-17(15)24/h3-8,11-13H,9-10H2,1-2H3,(H,26,27,28).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 453.50 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16594034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).