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

C22H18FN3O3S — CID 36539330

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1
InChIInChI=1S/C22H18FN3O3S/c1-13-19(14(2)29-26-13)11-28-18-8-6-15(7-9-18)21(27)25-22-24-20(12-30-22)16-4-3-5-17(23)10-16/h3-10,12H,11H2,1-2H3,(H,24,25,27)
InChIKeyVOMKPBBWYAHUBB-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.39
Rot. Bonds6

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 36539330) 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-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID36539330
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1
InChIInChI=1S/C22H18FN3O3S/c1-13-19(14(2)29-26-13)11-28-18-8-6-15(7-9-18)21(27)25-22-24-20(12-30-22)16-4-3-5-17(23)10-16/h3-10,12H,11H2,1-2H3,(H,24,25,27)
InChIKeyVOMKPBBWYAHUBB-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

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 2108827
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2102520
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2127619
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649214
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666526
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 3581200
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8511739
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17472229
N-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 155518055
2-Fluoro-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-benzamide
CID 746909
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800713
3-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 17417565

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 36539330) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-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-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide is Cc1noc(C)c1COc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is VOMKPBBWYAHUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c1-13-19(14(2)29-26-13)11-28-18-8-6-15(7-9-18)21(27)25-22-24-20(12-30-22)16-4-3-5-17(23)10-16/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-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-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-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 36539330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).