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

C22H18FN3O3S — CID 162691696

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2nc(-c3ccccc3F)cs2)cc1
InChIInChI=1S/C22H18FN3O3S/c1-13-18(14(2)29-26-13)11-28-16-9-7-15(8-10-16)21(27)25-22-24-20(12-30-22)17-5-3-4-6-19(17)23/h3-10,12H,11H2,1-2H3,(H,24,25,27)
InChIKeyOIVGMMAAKQBNJO-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.39
Rot. Bonds6

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 162691696) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID162691696
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2nc(-c3ccccc3F)cs2)cc1
InChIInChI=1S/C22H18FN3O3S/c1-13-18(14(2)29-26-13)11-28-16-9-7-15(8-10-16)21(27)25-22-24-20(12-30-22)17-5-3-4-6-19(17)23/h3-10,12H,11H2,1-2H3,(H,24,25,27)
InChIKeyOIVGMMAAKQBNJO-UHFFFAOYSA-N
XLogP5.39
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-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

Related Compounds

methyl 4-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 60551769
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 112821660
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31264698
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 30216393
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55895352
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 162691673
3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 60551770
3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 87043271
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-formyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 162691706
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide
CID 2466288
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-nitro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 162691697

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 162691696) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide is Cc1noc(C)c1COc1ccc(C(=O)Nc2nc(-c3ccccc3F)cs2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is OIVGMMAAKQBNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c1-13-18(14(2)29-26-13)11-28-16-9-7-15(8-10-16)21(27)25-22-24-20(12-30-22)17-5-3-4-6-19(17)23/h3-10,12H,11H2,1-2H3,(H,24,25,27).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 423.47 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 162691696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).