ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate

C26H24FN3O5S — CID 68751433

About ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate

ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate (PubChem CID 68751433) has the molecular formula C26H24FN3O5S and a molecular weight of 509.56 g/mol. Its IUPAC name is ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate
• PubChem CID: 68751433
• Molecular Formula: C26H24FN3O5S
• Molecular Weight: 509.56 g/mol
• Exact Mass: 509.14
• IUPAC Name: ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate
• SMILES: CCOC(=O)Cc1ccc(-c2ncc(-c3onc(C)c3NC(=O)O[C@H](C)c3ccccc3F)s2)cc1
• InChI: InChI=1S/C26H24FN3O5S/c1-4-33-22(31)13-17-9-11-18(12-10-17)25-28-14-21(36-25)24-23(15(2)30-35-24)29-26(32)34-16(3)19-7-5-6-8-20(19)27/h5-12,14,16H,4,13H2,1-3H3,(H,29,32)/t16-/m1/s1
• InChIKey: RYIHFAXTCWHYJD-MRXNPFEDSA-N
• XLogP: 6.33
• TPSA: 103.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.56
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate?

The IUPAC name of ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate (CID 68751433) is ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate.

What is the SMILES notation for ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate?

The canonical SMILES for ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate is CCOC(=O)Cc1ccc(-c2ncc(-c3onc(C)c3NC(=O)O[C@H](C)c3ccccc3F)s2)cc1.

What is the InChIKey of ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate?

The InChIKey is RYIHFAXTCWHYJD-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H24FN3O5S/c1-4-33-22(31)13-17-9-11-18(12-10-17)25-28-14-21(36-25)24-23(15(2)30-35-24)29-26(32)34-16(3)19-7-5-6-8-20(19)27/h5-12,14,16H,4,13H2,1-3H3,(H,29,32)/t16-/m1/s1.

What are the key properties of ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate?

ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate has a molecular weight of 509.56 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate is sourced from PubChem (CID 68751433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).