2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid

C23H20FN5O5 — CID 58539343

About 2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid

2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid (PubChem CID 58539343) has the molecular formula C23H20FN5O5 and a molecular weight of 465.44 g/mol. Its IUPAC name is 2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
• PubChem CID: 58539343
• Molecular Formula: C23H20FN5O5
• Molecular Weight: 465.44 g/mol
• Exact Mass: 465.14
• IUPAC Name: 2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
• SMILES: Cc1noc(-c2ccc(-c3nnn(CC(=O)O)n3)cc2)c1CC(=O)O[C@H](C)c1ccccc1F
• InChI: InChI=1S/C23H20FN5O5/c1-13-18(11-21(32)33-14(2)17-5-3-4-6-19(17)24)22(34-27-13)15-7-9-16(10-8-15)23-25-28-29(26-23)12-20(30)31/h3-10,14H,11-12H2,1-2H3,(H,30,31)/t14-/m1/s1
• InChIKey: PDCKQKQXRGPHTF-CQSZACIVSA-N
• XLogP: 3.37
• TPSA: 133.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.44
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid?

The IUPAC name of 2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid (CID 58539343) is 2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid.

What is the SMILES notation for 2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid?

The canonical SMILES for 2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid is Cc1noc(-c2ccc(-c3nnn(CC(=O)O)n3)cc2)c1CC(=O)O[C@H](C)c1ccccc1F.

What is the InChIKey of 2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid?

The InChIKey is PDCKQKQXRGPHTF-CQSZACIVSA-N. The full InChI is InChI=1S/C23H20FN5O5/c1-13-18(11-21(32)33-14(2)17-5-3-4-6-19(17)24)22(34-27-13)15-7-9-16(10-8-15)23-25-28-29(26-23)12-20(30)31/h3-10,14H,11-12H2,1-2H3,(H,30,31)/t14-/m1/s1.

What are the key properties of 2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid?

2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid has a molecular weight of 465.44 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 58539343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).