6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid

C22H23F3N2O4 — CID 70692235

IUPAC6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid
SMILESCC(C)Oc1ccc(-c2nc3cc(CCCCCC(=O)O)cnc3o2)cc1C(F)(F)F
InChIInChI=1S/C22H23F3N2O4/c1-13(2)30-18-9-8-15(11-16(18)22(23,24)25)20-27-17-10-14(12-26-21(17)31-20)6-4-3-5-7-19(28)29/h8-13H,3-7H2,1-2H3,(H,28,29)
InChIKeyUGRYYIZYUVXYOF-UHFFFAOYSA-N
MW436.43 g/mol
LogP5.88
Rot. Bonds9

About 6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid

6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid (PubChem CID 70692235) has the molecular formula C22H23F3N2O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is 6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid.

Molecular Properties

Compound Name6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid
PubChem CID70692235
Molecular FormulaC22H23F3N2O4
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC Name6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid
SMILESCC(C)Oc1ccc(-c2nc3cc(CCCCCC(=O)O)cnc3o2)cc1C(F)(F)F
InChIInChI=1S/C22H23F3N2O4/c1-13(2)30-18-9-8-15(11-16(18)22(23,24)25)20-27-17-10-14(12-26-21(17)31-20)6-4-3-5-7-19(28)29/h8-13H,3-7H2,1-2H3,(H,28,29)
InChIKeyUGRYYIZYUVXYOF-UHFFFAOYSA-N
XLogP5.88
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-[4-Phenyl-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid
CID 70688066
2-[2-(2-Pyridinyl)-1,3-benzoxazol-5-yl]acetic acid
CID 1478216
{4-[4-(6-Isopropoxypyridin-3-yl)-5-(4-trifluoromethoxyphenyl)-oxazol-2-ylmethoxy]-2-methylphenoxy}acetic Acid
CID 11678481
2-(4-((4-(6-Methoxypyridin-3-yl)-5-(4-(trifluoromethoxy)-phenyl)oxazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
CID 44627415
Methyl ((6-(5-(4-((3-methylbut-2-en-1-yl)oxy)phenyl)oxazol-2-yl)pyridin-3-yl)methyl)-L-prolinate
CID 137635377
6-[2-[6-Propan-2-yloxy-5-(trifluoromethyl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid
CID 70683794
6-[2-(3-Chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid
CID 70685933
4-[2-(3-Chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid
CID 70690085
5-[2-(3-Chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]pentanoic acid
CID 70692232
5-Fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 71459373
2-[2-[(3-Fluorophenyl)methoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 137646348
2-[2-[(2-Methylphenyl)methoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 137653460

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid?
The IUPAC name of 6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid (CID 70692235) is 6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid.
What is the SMILES notation for 6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid?
The canonical SMILES for 6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid is CC(C)Oc1ccc(-c2nc3cc(CCCCCC(=O)O)cnc3o2)cc1C(F)(F)F.
What is the InChIKey of 6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid?
The InChIKey is UGRYYIZYUVXYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O4/c1-13(2)30-18-9-8-15(11-16(18)22(23,24)25)20-27-17-10-14(12-26-21(17)31-20)6-4-3-5-7-19(28)29/h8-13H,3-7H2,1-2H3,(H,28,29).
What are the key properties of 6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid?
6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid has a molecular weight of 436.43 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid is sourced from PubChem (CID 70692235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).