4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide

C19H23FN4O4 — CID 51267351

About 4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide

4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide (PubChem CID 51267351) has the molecular formula C19H23FN4O4 and a molecular weight of 390.42 g/mol. Its IUPAC name is 4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
• PubChem CID: 51267351
• Molecular Formula: C19H23FN4O4
• Molecular Weight: 390.42 g/mol
• Exact Mass: 390.17
• IUPAC Name: 4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
• SMILES: Cc1cc(NC(=O)CN(C)C(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)no1
• InChI: InChI=1S/C19H23FN4O4/c1-11(2)17(22-18(26)13-5-7-14(20)8-6-13)19(27)24(4)10-16(25)21-15-9-12(3)28-23-15/h5-9,11,17H,10H2,1-4H3,(H,22,26)(H,21,23,25)
• InChIKey: TUEYJZNAUPLSAX-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.42
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide?

The IUPAC name of 4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide (CID 51267351) is 4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide is Cc1cc(NC(=O)CN(C)C(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)no1.

What is the InChIKey of 4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide?

The InChIKey is TUEYJZNAUPLSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4/c1-11(2)17(22-18(26)13-5-7-14(20)8-6-13)19(27)24(4)10-16(25)21-15-9-12(3)28-23-15/h5-9,11,17H,10H2,1-4H3,(H,22,26)(H,21,23,25).

What are the key properties of 4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide?

4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 390.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51267351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).