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

C27H25NO5 — CID 155302310

IUPAC2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid
SMILESCc1noc(CC(=O)O)c1-c1ccc(OCc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H25NO5/c1-19-27(25(33-28-19)17-26(29)30)22-9-13-24(14-10-22)32-18-21-7-11-23(12-8-21)31-16-15-20-5-3-2-4-6-20/h2-14H,15-18H2,1H3,(H,29,30)
InChIKeyCJJYOFSUJCIGBV-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.48
Rot. Bonds10

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

2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid (PubChem CID 155302310) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid
PubChem CID155302310
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid
SMILESCc1noc(CC(=O)O)c1-c1ccc(OCc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H25NO5/c1-19-27(25(33-28-19)17-26(29)30)22-9-13-24(14-10-22)32-18-21-7-11-23(12-8-21)31-16-15-20-5-3-2-4-6-20/h2-14H,15-18H2,1H3,(H,29,30)
InChIKeyCJJYOFSUJCIGBV-UHFFFAOYSA-N
XLogP5.48
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid (CID 155302310) is 2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid is Cc1noc(CC(=O)O)c1-c1ccc(OCc2ccc(OCCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid?
The InChIKey is CJJYOFSUJCIGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-19-27(25(33-28-19)17-26(29)30)22-9-13-24(14-10-22)32-18-21-7-11-23(12-8-21)31-16-15-20-5-3-2-4-6-20/h2-14H,15-18H2,1H3,(H,29,30).
What are the key properties of 2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid?
2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid has a molecular weight of 443.50 g/mol, XLogP of 5.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[4-[[4-(2-phenylethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 155302310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).