[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate

C19H18FN3O5S — CID 30925313

About [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate (PubChem CID 30925313) has the molecular formula C19H18FN3O5S and a molecular weight of 419.43 g/mol. Its IUPAC name is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

• Compound Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate
• PubChem CID: 30925313
• Molecular Formula: C19H18FN3O5S
• Molecular Weight: 419.43 g/mol
• Exact Mass: 419.10
• IUPAC Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate
• SMILES: Cc1cc(NC(=O)[C@H](C)OC(=O)Cc2csc(COc3ccc(F)cc3)n2)no1
• InChI: InChI=1S/C19H18FN3O5S/c1-11-7-16(23-28-11)22-19(25)12(2)27-18(24)8-14-10-29-17(21-14)9-26-15-5-3-13(20)4-6-15/h3-7,10,12H,8-9H2,1-2H3,(H,22,23,25)/t12-/m0/s1
• InChIKey: HXSFTVYKAZVXKR-LBPRGKRZSA-N
• XLogP: 3.27
• TPSA: 103.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.43
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate?

The IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate (CID 30925313) is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate.

What is the SMILES notation for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate?

The canonical SMILES for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate is Cc1cc(NC(=O)[C@H](C)OC(=O)Cc2csc(COc3ccc(F)cc3)n2)no1.

What is the InChIKey of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate?

The InChIKey is HXSFTVYKAZVXKR-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18FN3O5S/c1-11-7-16(23-28-11)22-19(25)12(2)27-18(24)8-14-10-29-17(21-14)9-26-15-5-3-13(20)4-6-15/h3-7,10,12H,8-9H2,1-2H3,(H,22,23,25)/t12-/m0/s1.

What are the key properties of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate?

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 419.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 30925313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).