5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide

C22H17F2N3O3S — CID 91949599

IUPAC5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2csc(CCNC(=O)c3cc(-c4ccc(F)c(F)c4)on3)n2)cc1
InChIInChI=1S/C22H17F2N3O3S/c1-29-15-5-2-13(3-6-15)19-12-31-21(26-19)8-9-25-22(28)18-11-20(30-27-18)14-4-7-16(23)17(24)10-14/h2-7,10-12H,8-9H2,1H3,(H,25,28)
InChIKeyKAWSSVRBYGWQLF-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.72
Rot. Bonds7

About 5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide

5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 91949599) has the molecular formula C22H17F2N3O3S and a molecular weight of 441.46 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID91949599
Molecular FormulaC22H17F2N3O3S
Molecular Weight441.46 g/mol
Exact Mass441.10
IUPAC Name5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2csc(CCNC(=O)c3cc(-c4ccc(F)c(F)c4)on3)n2)cc1
InChIInChI=1S/C22H17F2N3O3S/c1-29-15-5-2-13(3-6-15)19-12-31-21(26-19)8-9-25-22(28)18-11-20(30-27-18)14-4-7-16(23)17(24)10-14/h2-7,10-12H,8-9H2,1H3,(H,25,28)
InChIKeyKAWSSVRBYGWQLF-UHFFFAOYSA-N
XLogP4.72
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide 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 5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide (CID 91949599) is 5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2csc(CCNC(=O)c3cc(-c4ccc(F)c(F)c4)on3)n2)cc1.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KAWSSVRBYGWQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O3S/c1-29-15-5-2-13(3-6-15)19-12-31-21(26-19)8-9-25-22(28)18-11-20(30-27-18)14-4-7-16(23)17(24)10-14/h2-7,10-12H,8-9H2,1H3,(H,25,28).
What are the key properties of 5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide?
5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 441.46 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91949599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).