N-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

C21H18FN3O2S — CID 16746124

IUPACN-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1C1(C)CC(c2ccccc2F)=NO1
InChIInChI=1S/C21H18FN3O2S/c1-13-18(28-20(23-13)24-19(26)14-8-4-3-5-9-14)21(2)12-17(25-27-21)15-10-6-7-11-16(15)22/h3-11H,12H2,1-2H3,(H,23,24,26)
InChIKeySAPBFRGRNCMEIV-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.88
Rot. Bonds4

About N-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

N-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 16746124) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID16746124
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC NameN-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1C1(C)CC(c2ccccc2F)=NO1
InChIInChI=1S/C21H18FN3O2S/c1-13-18(28-20(23-13)24-19(26)14-8-4-3-5-9-14)21(2)12-17(25-27-21)15-10-6-7-11-16(15)22/h3-11H,12H2,1-2H3,(H,23,24,26)
InChIKeySAPBFRGRNCMEIV-UHFFFAOYSA-N
XLogP4.88
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide 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-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (CID 16746124) is N-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2ccccc2)sc1C1(C)CC(c2ccccc2F)=NO1.
What is the InChIKey of N-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is SAPBFRGRNCMEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-13-18(28-20(23-13)24-19(26)14-8-4-3-5-9-14)21(2)12-17(25-27-21)15-10-6-7-11-16(15)22/h3-11H,12H2,1-2H3,(H,23,24,26).
What are the key properties of N-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
N-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16746124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).