2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid

C17H11Cl2NO4 — CID 90675654

IUPAC2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2cc(-c3c(Cl)cccc3Cl)no2)cc1
InChIInChI=1S/C17H11Cl2NO4/c18-12-2-1-3-13(19)17(12)14-8-15(24-20-14)10-4-6-11(7-5-10)23-9-16(21)22/h1-8H,9H2,(H,21,22)
InChIKeyFBOKRFKGAVYROT-UHFFFAOYSA-N
MW364.18 g/mol
LogP4.78
Rot. Bonds5

About 2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid

2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid (PubChem CID 90675654) has the molecular formula C17H11Cl2NO4 and a molecular weight of 364.18 g/mol. Its IUPAC name is 2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid
PubChem CID90675654
Molecular FormulaC17H11Cl2NO4
Molecular Weight364.18 g/mol
Exact Mass363.01
IUPAC Name2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2cc(-c3c(Cl)cccc3Cl)no2)cc1
InChIInChI=1S/C17H11Cl2NO4/c18-12-2-1-3-13(19)17(12)14-8-15(24-20-14)10-4-6-11(7-5-10)23-9-16(21)22/h1-8H,9H2,(H,21,22)
InChIKeyFBOKRFKGAVYROT-UHFFFAOYSA-N
XLogP4.78
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid (CID 90675654) is 2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid is O=C(O)COc1ccc(-c2cc(-c3c(Cl)cccc3Cl)no2)cc1.
What is the InChIKey of 2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid?
The InChIKey is FBOKRFKGAVYROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO4/c18-12-2-1-3-13(19)17(12)14-8-15(24-20-14)10-4-6-11(7-5-10)23-9-16(21)22/h1-8H,9H2,(H,21,22).
What are the key properties of 2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid?
2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid has a molecular weight of 364.18 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid is sourced from PubChem (CID 90675654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).