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

C22H19N3O6 — CID 68887356

IUPAC2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1COc1cc(COc2ncccc2CC(=O)O)on1
InChIInChI=1S/C22H19N3O6/c1-14-18(24-22(30-14)15-6-3-2-4-7-15)13-28-19-11-17(31-25-19)12-29-21-16(10-20(26)27)8-5-9-23-21/h2-9,11H,10,12-13H2,1H3,(H,26,27)
InChIKeyLVQFWBNWVVFXDS-UHFFFAOYSA-N
MW421.41 g/mol
LogP3.82
Rot. Bonds9

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

2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid (PubChem CID 68887356) has the molecular formula C22H19N3O6 and a molecular weight of 421.41 g/mol. Its IUPAC name is 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid
PubChem CID68887356
Molecular FormulaC22H19N3O6
Molecular Weight421.41 g/mol
Exact Mass421.13
IUPAC Name2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1COc1cc(COc2ncccc2CC(=O)O)on1
InChIInChI=1S/C22H19N3O6/c1-14-18(24-22(30-14)15-6-3-2-4-7-15)13-28-19-11-17(31-25-19)12-29-21-16(10-20(26)27)8-5-9-23-21/h2-9,11H,10,12-13H2,1H3,(H,26,27)
InChIKeyLVQFWBNWVVFXDS-UHFFFAOYSA-N
XLogP3.82
TPSA120.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

calcium;hydride;2-[2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-3-pyridinyl]acetic acid;dihydrate
CID 173119988
[2-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-3-pyridinyl]methanol
CID 68884273
2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid
CID 10113580
2-[6-methyl-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-3-pyridinyl]acetic acid
CID 68884951
2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid
CID 68887456
2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884245
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
2-[5-methyl-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883808
2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884683
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 51333609
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-([1,2]oxazolo[5,4-b]pyridin-3-yl)acetamide
CID 157013228
2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-4-yl]acetic acid
CID 69431218

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid (CID 68887356) is 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid is Cc1oc(-c2ccccc2)nc1COc1cc(COc2ncccc2CC(=O)O)on1.
What is the InChIKey of 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid?
The InChIKey is LVQFWBNWVVFXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6/c1-14-18(24-22(30-14)15-6-3-2-4-7-15)13-28-19-11-17(31-25-19)12-29-21-16(10-20(26)27)8-5-9-23-21/h2-9,11H,10,12-13H2,1H3,(H,26,27).
What are the key properties of 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid?
2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid has a molecular weight of 421.41 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]acetic acid is sourced from PubChem (CID 68887356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).