3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid

C16H15ClN2O5 — CID 121415199

About 3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid

3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid (PubChem CID 121415199) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is 3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
• PubChem CID: 121415199
• Molecular Formula: C16H15ClN2O5
• Molecular Weight: 350.76 g/mol
• Exact Mass: 350.07
• IUPAC Name: 3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
• SMILES: Cc1ncc([C@@H](C)Oc2cc3onc(CCC(=O)O)c3cc2Cl)o1
• InChI: InChI=1S/C16H15ClN2O5/c1-8(15-7-18-9(2)23-15)22-14-6-13-10(5-11(14)17)12(19-24-13)3-4-16(20)21/h5-8H,3-4H2,1-2H3,(H,20,21)/t8-/m1/s1
• InChIKey: PFJXPNZLMALXJR-MRVPVSSYSA-N
• XLogP: 3.93
• TPSA: 98.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.76
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid?

The IUPAC name of 3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid (CID 121415199) is 3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid.

What is the SMILES notation for 3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid?

The canonical SMILES for 3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid is Cc1ncc([C@@H](C)Oc2cc3onc(CCC(=O)O)c3cc2Cl)o1.

What is the InChIKey of 3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid?

The InChIKey is PFJXPNZLMALXJR-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-8(15-7-18-9(2)23-15)22-14-6-13-10(5-11(14)17)12(19-24-13)3-4-16(20)21/h5-8H,3-4H2,1-2H3,(H,20,21)/t8-/m1/s1.

What are the key properties of 3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid?

3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid has a molecular weight of 350.76 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-chloro-6-[(1R)-1-(2-methyl-1,3-oxazol-5-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid is sourced from PubChem (CID 121415199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).