N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

C15H11F2N3O2S — CID 45497826

IUPACN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)cs1
InChIInChI=1S/C15H11F2N3O2S/c1-8-19-13(7-23-8)15(21)18-6-10-5-14(22-20-10)11-3-2-9(16)4-12(11)17/h2-5,7H,6H2,1H3,(H,18,21)
InChIKeyOBXSPOXHIWPDAU-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.31
Rot. Bonds4

About N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 45497826) has the molecular formula C15H11F2N3O2S and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID45497826
Molecular FormulaC15H11F2N3O2S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC NameN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)cs1
InChIInChI=1S/C15H11F2N3O2S/c1-8-19-13(7-23-8)15(21)18-6-10-5-14(22-20-10)11-3-2-9(16)4-12(11)17/h2-5,7H,6H2,1H3,(H,18,21)
InChIKeyOBXSPOXHIWPDAU-UHFFFAOYSA-N
XLogP3.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-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 N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 45497826) is N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)cs1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is OBXSPOXHIWPDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S/c1-8-19-13(7-23-8)15(21)18-6-10-5-14(22-20-10)11-3-2-9(16)4-12(11)17/h2-5,7H,6H2,1H3,(H,18,21).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45497826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).