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

C18H22FN3O3 — CID 86929167

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

4-fluoro-N-[3-methyl-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide (PubChem CID 86929167) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-fluoro-N-[3-methyl-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[3-methyl-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide
• PubChem CID: 86929167
• Molecular Formula: C18H22FN3O3
• Molecular Weight: 347.39 g/mol
• Exact Mass: 347.16
• IUPAC Name: 4-fluoro-N-[3-methyl-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide
• SMILES: Cc1cc(CN(C)C(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)no1
• InChI: InChI=1S/C18H22FN3O3/c1-11(2)16(20-17(23)13-5-7-14(19)8-6-13)18(24)22(4)10-15-9-12(3)25-21-15/h5-9,11,16H,10H2,1-4H3,(H,20,23)
• InChIKey: YTJDOBBKZDFMMY-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.39
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-N-[3-methyl-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide (CID 86929167) is 4-fluoro-N-[3-methyl-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide.

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

The canonical SMILES for 4-fluoro-N-[3-methyl-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide is Cc1cc(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-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide?

The InChIKey is YTJDOBBKZDFMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-11(2)16(20-17(23)13-5-7-14(19)8-6-13)18(24)22(4)10-15-9-12(3)25-21-15/h5-9,11,16H,10H2,1-4H3,(H,20,23).

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

4-fluoro-N-[3-methyl-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 347.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[3-methyl-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 86929167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).