3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

C22H22FN3O4 — CID 9439699

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C22H22FN3O4/c1-14-20(15(2)30-25-14)13-29-19-9-4-6-16(10-19)22(28)26(3)12-21(27)24-18-8-5-7-17(23)11-18/h4-11H,12-13H2,1-3H3,(H,24,27)
InChIKeyDXDAFDMUQBAFIT-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.72
Rot. Bonds7

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 9439699) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID9439699
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C22H22FN3O4/c1-14-20(15(2)30-25-14)13-29-19-9-4-6-16(10-19)22(28)26(3)12-21(27)24-18-8-5-7-17(23)11-18/h4-11H,12-13H2,1-3H3,(H,24,27)
InChIKeyDXDAFDMUQBAFIT-UHFFFAOYSA-N
XLogP3.72
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-(4-fluorophenyl)benzamide
CID 51198625
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192595
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 9437481
N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 31238590
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-fluorophenyl)-3-methoxybenzamide
CID 26086460
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1-phenylethyl)benzamide
CID 51188159
N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 30838985
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide
CID 8621107
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide
CID 38033802
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (CID 9439699) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is Cc1noc(C)c1COc1cccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is DXDAFDMUQBAFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-14-20(15(2)30-25-14)13-29-19-9-4-6-16(10-19)22(28)26(3)12-21(27)24-18-8-5-7-17(23)11-18/h4-11H,12-13H2,1-3H3,(H,24,27).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 411.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 9439699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).