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

C26H23NO5 — CID 68884245

IUPAC2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1COc1cccc(COc2ccccc2CC(=O)O)c1
InChIInChI=1S/C26H23NO5/c1-18-23(27-26(32-18)20-9-3-2-4-10-20)17-30-22-12-7-8-19(14-22)16-31-24-13-6-5-11-21(24)15-25(28)29/h2-14H,15-17H2,1H3,(H,28,29)
InChIKeyLHEOBUDJBISDSZ-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.44
Rot. Bonds9

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

2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid (PubChem CID 68884245) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
PubChem CID68884245
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1COc1cccc(COc2ccccc2CC(=O)O)c1
InChIInChI=1S/C26H23NO5/c1-18-23(27-26(32-18)20-9-3-2-4-10-20)17-30-22-12-7-8-19(14-22)16-31-24-13-6-5-11-21(24)15-25(28)29/h2-14H,15-17H2,1H3,(H,28,29)
InChIKeyLHEOBUDJBISDSZ-UHFFFAOYSA-N
XLogP5.44
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
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
ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate
CID 68883694
2-[3-chloro-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]phenyl]acetic acid
CID 68886942
2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68887056
1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
CID 59067238
2-methyl-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-4-phenylbutanoic acid
CID 173278465
2-[(4-methylphenoxy)carbonyl-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
CID 22087654
2-[6-methyl-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-3-pyridinyl]acetic acid
CID 68884951
2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid
CID 10113580

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid (CID 68884245) is 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid is Cc1oc(-c2ccccc2)nc1COc1cccc(COc2ccccc2CC(=O)O)c1.
What is the InChIKey of 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid?
The InChIKey is LHEOBUDJBISDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-18-23(27-26(32-18)20-9-3-2-4-10-20)17-30-22-12-7-8-19(14-22)16-31-24-13-6-5-11-21(24)15-25(28)29/h2-14H,15-17H2,1H3,(H,28,29).
What are the key properties of 2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid?
2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid has a molecular weight of 429.47 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 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]phenyl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 68884245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).