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

C28H25NO4 — CID 19358510

IUPAC2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C2CCC(c3nc(-c4ccccc4)c(-c4ccccc4)o3)C2)c1
InChIInChI=1S/C28H25NO4/c30-25(31)18-32-24-13-7-12-21(17-24)22-14-15-23(16-22)28-29-26(19-8-3-1-4-9-19)27(33-28)20-10-5-2-6-11-20/h1-13,17,22-23H,14-16,18H2,(H,30,31)
InChIKeyAYPKVWFZVSSSSL-UHFFFAOYSA-N
MW439.51 g/mol
LogP6.52
Rot. Bonds7

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

2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid (PubChem CID 19358510) has the molecular formula C28H25NO4 and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid
PubChem CID19358510
Molecular FormulaC28H25NO4
Molecular Weight439.51 g/mol
Exact Mass439.18
IUPAC Name2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C2CCC(c3nc(-c4ccccc4)c(-c4ccccc4)o3)C2)c1
InChIInChI=1S/C28H25NO4/c30-25(31)18-32-24-13-7-12-21(17-24)22-14-15-23(16-22)28-29-26(19-8-3-1-4-9-19)27(33-28)20-10-5-2-6-11-20/h1-13,17,22-23H,14-16,18H2,(H,30,31)
InChIKeyAYPKVWFZVSSSSL-UHFFFAOYSA-N
XLogP6.52
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Imiglitazar
CID 9890879
(3-(4-(4,5-Diphenyl-2-oxazolyl)-5-oxazolyl)phenoxy)acetic acid
CID 127861
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
(3R,4S)-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenoxycarbonylpyrrolidine-3-carboxylic acid
CID 10346786
2-Ethoxycarbonyl-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionic acid
CID 10788402

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid (CID 19358510) is 2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid is O=C(O)COc1cccc(C2CCC(c3nc(-c4ccccc4)c(-c4ccccc4)o3)C2)c1.
What is the InChIKey of 2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid?
The InChIKey is AYPKVWFZVSSSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO4/c30-25(31)18-32-24-13-7-12-21(17-24)22-14-15-23(16-22)28-29-26(19-8-3-1-4-9-19)27(33-28)20-10-5-2-6-11-20/h1-13,17,22-23H,14-16,18H2,(H,30,31).
What are the key properties of 2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid?
2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid has a molecular weight of 439.51 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid is sourced from PubChem (CID 19358510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).