2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid

C27H25NO4 — CID 10094051

IUPAC2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1)C(=O)O
InChIInChI=1S/C27H25NO4/c1-27(2,26(29)30)32-22-15-9-10-19(18-22)16-17-23-28-24(20-11-5-3-6-12-20)25(31-23)21-13-7-4-8-14-21/h3-15,18H,16-17H2,1-2H3,(H,29,30)
InChIKeyWDRQADMQYLOVBZ-UHFFFAOYSA-N
MW427.50 g/mol
LogP6.04
Rot. Bonds8

About 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid

2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid (PubChem CID 10094051) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid
PubChem CID10094051
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1)C(=O)O
InChIInChI=1S/C27H25NO4/c1-27(2,26(29)30)32-22-15-9-10-19(18-22)16-17-23-28-24(20-11-5-3-6-12-20)25(31-23)21-13-7-4-8-14-21/h3-15,18H,16-17H2,1-2H3,(H,29,30)
InChIKeyWDRQADMQYLOVBZ-UHFFFAOYSA-N
XLogP6.04
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxaprozin
CID 4614
Imiglitazar
CID 9890879
Dimethyl-POPOP
CID 76491
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
LY-465608
CID 9890319
Phenylpropanoic acid derivative, 56
CID 10164032
Phenylpropanoic acid derivative, 57
CID 10164033
FR-181157
CID 23685469
Dimethyl 4-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)benzylmalonate
CID 6918417
2-Methoxycarbonyl-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionic acid
CID 9866203
(S)-2-Methyl-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-2-phenoxy-propionic acid
CID 10004270
2-(5-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)ethoxy)-2,3-dihydro-1H-inden-1-yl)butanoic acid
CID 10224945

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid (CID 10094051) is 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid is CC(C)(Oc1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1)C(=O)O.
What is the InChIKey of 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is WDRQADMQYLOVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-27(2,26(29)30)32-22-15-9-10-19(18-22)16-17-23-28-24(20-11-5-3-6-12-20)25(31-23)21-13-7-4-8-14-21/h3-15,18H,16-17H2,1-2H3,(H,29,30).
What are the key properties of 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid?
2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 427.50 g/mol, XLogP of 6.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 10094051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).