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

C21H21NO4 — CID 10641668

IUPAC3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C21H21NO4/c1-15-19(22-21(26-15)17-5-3-2-4-6-17)13-14-25-18-10-7-16(8-11-18)9-12-20(23)24/h2-8,10-11H,9,12-14H2,1H3,(H,23,24)
InChIKeyVFLDEIGTSMXRGM-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.29
Rot. Bonds8

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

3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid (PubChem CID 10641668) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
PubChem CID10641668
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C21H21NO4/c1-15-19(22-21(26-15)17-5-3-2-4-6-17)13-14-25-18-10-7-16(8-11-18)9-12-20(23)24/h2-8,10-11H,9,12-14H2,1H3,(H,23,24)
InChIKeyVFLDEIGTSMXRGM-UHFFFAOYSA-N
XLogP4.29
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxaprozin
CID 4614
Muraglitazar
CID 206044
Farglitazar
CID 170364
Reglitazar
CID 154000
Imiglitazar
CID 9890879
GW 409544
CID 446642
(S)-2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxazol-4-yl)-ethoxy]-phenyl}-2-phenoxy-propionic acid
CID 9890585
5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 318533
GW-7845
CID 9870584
AD-5061
CID 9953271
AD 5075
CID 128440
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid (CID 10641668) is 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid?
The InChIKey is VFLDEIGTSMXRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-15-19(22-21(26-15)17-5-3-2-4-6-17)13-14-25-18-10-7-16(8-11-18)9-12-20(23)24/h2-8,10-11H,9,12-14H2,1H3,(H,23,24).
What are the key properties of 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid?
3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid has a molecular weight of 351.40 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 10641668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).