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

C22H22FN3O4 — CID 24981258

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H22FN3O4/c1-14-19(15(2)30-25-14)13-29-20-7-5-4-6-18(20)22(28)26(3)12-21(27)24-17-10-8-16(23)9-11-17/h4-11H,12-13H2,1-3H3,(H,24,27)
InChIKeyFUQJUOYASNSXED-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.72
Rot. Bonds7

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 24981258) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID24981258
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H22FN3O4/c1-14-19(15(2)30-25-14)13-29-20-7-5-4-6-18(20)22(28)26(3)12-21(27)24-17-10-8-16(23)9-11-17/h4-11H,12-13H2,1-3H3,(H,24,27)
InChIKeyFUQJUOYASNSXED-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (CID 24981258) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is Cc1noc(C)c1COc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is FUQJUOYASNSXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-14-19(15(2)30-25-14)13-29-20-7-5-4-6-18(20)22(28)26(3)12-21(27)24-17-10-8-16(23)9-11-17/h4-11H,12-13H2,1-3H3,(H,24,27).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-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 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 24981258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).