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

C26H19N3O4 — CID 14971852

IUPAC2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2[nH]ncc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C26H19N3O4/c30-22(31)16-32-20-13-7-12-19(14-20)23-21(15-27-29-23)26-28-24(17-8-3-1-4-9-17)25(33-26)18-10-5-2-6-11-18/h1-15H,16H2,(H,27,29)(H,30,31)
InChIKeyCLWQOXUVAAXGTO-UHFFFAOYSA-N
MW437.46 g/mol
LogP5.53
Rot. Bonds7

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

2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid (PubChem CID 14971852) has the molecular formula C26H19N3O4 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid
PubChem CID14971852
Molecular FormulaC26H19N3O4
Molecular Weight437.46 g/mol
Exact Mass437.14
IUPAC Name2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2[nH]ncc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C26H19N3O4/c30-22(31)16-32-20-13-7-12-19(14-20)23-21(15-27-29-23)26-28-24(17-8-3-1-4-9-17)25(33-26)18-10-5-2-6-11-18/h1-15H,16H2,(H,27,29)(H,30,31)
InChIKeyCLWQOXUVAAXGTO-UHFFFAOYSA-N
XLogP5.53
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid (CID 14971852) is 2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid is O=C(O)COc1cccc(-c2[nH]ncc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.
What is the InChIKey of 2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid?
The InChIKey is CLWQOXUVAAXGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O4/c30-22(31)16-32-20-13-7-12-19(14-20)23-21(15-27-29-23)26-28-24(17-8-3-1-4-9-17)25(33-26)18-10-5-2-6-11-18/h1-15H,16H2,(H,27,29)(H,30,31).
What are the key properties of 2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid?
2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid has a molecular weight of 437.46 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1H-pyrazol-5-yl]phenoxy]acetic acid is sourced from PubChem (CID 14971852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).