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

C28H27NO5 — CID 68887056

IUPAC2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
SMILESCCCc1oc(-c2ccccc2)nc1COc1ccc(COc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C28H27NO5/c1-2-8-26-24(29-28(34-26)21-9-4-3-5-10-21)19-32-23-15-13-20(14-16-23)18-33-25-12-7-6-11-22(25)17-27(30)31/h3-7,9-16H,2,8,17-19H2,1H3,(H,30,31)
InChIKeyGMQYFUQNWVRSCS-UHFFFAOYSA-N
MW457.53 g/mol
LogP6.08
Rot. Bonds11

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

2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid (PubChem CID 68887056) has the molecular formula C28H27NO5 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
PubChem CID68887056
Molecular FormulaC28H27NO5
Molecular Weight457.53 g/mol
Exact Mass457.19
IUPAC Name2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
SMILESCCCc1oc(-c2ccccc2)nc1COc1ccc(COc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C28H27NO5/c1-2-8-26-24(29-28(34-26)21-9-4-3-5-10-21)19-32-23-15-13-20(14-16-23)18-33-25-12-7-6-11-22(25)17-27(30)31/h3-7,9-16H,2,8,17-19H2,1H3,(H,30,31)
InChIKeyGMQYFUQNWVRSCS-UHFFFAOYSA-N
XLogP6.08
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-[5-methyl-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883808
2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884245
2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884683
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
2-[6-methyl-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-3-pyridinyl]acetic acid
CID 68884951
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-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole
CID 22261206
2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884558
2-methyl-2-[4-[2-(2-phenyl-5-propyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid
CID 22261129
2-[1-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propoxy]benzoic acid
CID 68882836
2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile
CID 68886242
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid (CID 68887056) is 2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid is CCCc1oc(-c2ccccc2)nc1COc1ccc(COc2ccccc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid?
The InChIKey is GMQYFUQNWVRSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO5/c1-2-8-26-24(29-28(34-26)21-9-4-3-5-10-21)19-32-23-15-13-20(14-16-23)18-33-25-12-7-6-11-22(25)17-27(30)31/h3-7,9-16H,2,8,17-19H2,1H3,(H,30,31).
What are the key properties of 2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid?
2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid has a molecular weight of 457.53 g/mol, XLogP of 6.08, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 68887056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).