2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid

C24H21N3O5 — CID 10113580

About 2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid

2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid (PubChem CID 10113580) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid
• PubChem CID: 10113580
• Molecular Formula: C24H21N3O5
• Molecular Weight: 431.45 g/mol
• Exact Mass: 431.15
• IUPAC Name: 2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc(COc2cccnc2CC(=O)O)cn1
• InChI: InChI=1S/C24H21N3O5/c1-16-20(27-24(32-16)18-6-3-2-4-7-18)15-31-22-10-9-17(13-26-22)14-30-21-8-5-11-25-19(21)12-23(28)29/h2-11,13H,12,14-15H2,1H3,(H,28,29)
• InChIKey: LWSVTKARVZJNHV-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 107.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.45
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid?

The IUPAC name of 2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid (CID 10113580) is 2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid.

What is the SMILES notation for 2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid?

The canonical SMILES for 2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid is Cc1oc(-c2ccccc2)nc1COc1ccc(COc2cccnc2CC(=O)O)cn1.

What is the InChIKey of 2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid?

The InChIKey is LWSVTKARVZJNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-16-20(27-24(32-16)18-6-3-2-4-7-18)15-31-22-10-9-17(13-26-22)14-30-21-8-5-11-25-19(21)12-23(28)29/h2-11,13H,12,14-15H2,1H3,(H,28,29).

What are the key properties of 2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid?

2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid has a molecular weight of 431.45 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid is sourced from PubChem (CID 10113580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).