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

C23H20N2O5S — CID 68887456

IUPAC2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid
SMILESCc1sc(-c2ccccc2)nc1COc1cc(COc2ccccc2CC(=O)O)on1
InChIInChI=1S/C23H20N2O5S/c1-15-19(24-23(31-15)16-7-3-2-4-8-16)14-29-21-12-18(30-25-21)13-28-20-10-6-5-9-17(20)11-22(26)27/h2-10,12H,11,13-14H2,1H3,(H,26,27)
InChIKeyVOYCBZLBAAPGFR-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.89
Rot. Bonds9

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

2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid (PubChem CID 68887456) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid
PubChem CID68887456
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC Name2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid
SMILESCc1sc(-c2ccccc2)nc1COc1cc(COc2ccccc2CC(=O)O)on1
InChIInChI=1S/C23H20N2O5S/c1-15-19(24-23(31-15)16-7-3-2-4-8-16)14-29-21-12-18(30-25-21)13-28-20-10-6-5-9-17(20)11-22(26)27/h2-10,12H,11,13-14H2,1H3,(H,26,27)
InChIKeyVOYCBZLBAAPGFR-UHFFFAOYSA-N
XLogP4.89
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile
CID 68884597
2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884245
2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid
CID 80722666
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884558
2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid
CID 80741744
2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 80723767
5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
CID 107711662
[5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate
CID 174472025
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68887056

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid (CID 68887456) is 2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid is Cc1sc(-c2ccccc2)nc1COc1cc(COc2ccccc2CC(=O)O)on1.
What is the InChIKey of 2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid?
The InChIKey is VOYCBZLBAAPGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S/c1-15-19(24-23(31-15)16-7-3-2-4-8-16)14-29-21-12-18(30-25-21)13-28-20-10-6-5-9-17(20)11-22(26)27/h2-10,12H,11,13-14H2,1H3,(H,26,27).
What are the key properties of 2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid?
2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid has a molecular weight of 436.49 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1,2-oxazol-5-yl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 68887456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).