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

C17H15FN4O3S — CID 47730257

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

2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 47730257) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 47730257
• Molecular Formula: C17H15FN4O3S
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.08
• IUPAC Name: 2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
• SMILES: Cc1cc(CNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)no1
• InChI: InChI=1S/C17H15FN4O3S/c1-10-6-11(22-25-10)8-19-15(23)7-12-9-26-17(20-12)21-16(24)13-4-2-3-5-14(13)18/h2-6,9H,7-8H2,1H3,(H,19,23)(H,20,21,24)
• InChIKey: NHFKZSYOTPHHGZ-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 47730257) is 2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

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

The canonical SMILES for 2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is Cc1cc(CNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)no1.

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

The InChIKey is NHFKZSYOTPHHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-10-6-11(22-25-10)8-19-15(23)7-12-9-26-17(20-12)21-16(24)13-4-2-3-5-14(13)18/h2-6,9H,7-8H2,1H3,(H,19,23)(H,20,21,24).

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

2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 374.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 47730257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).