4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid

C19H19ClN2O4 — CID 70690085

IUPAC4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid
SMILESCC(C)Oc1ccc(-c2nc3cc(CCCC(=O)O)cnc3o2)cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-11(2)25-16-7-6-13(9-14(16)20)18-22-15-8-12(4-3-5-17(23)24)10-21-19(15)26-18/h6-11H,3-5H2,1-2H3,(H,23,24)
InChIKeyJZPZJFJDBMHNLH-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.74
Rot. Bonds7

About 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid

4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid (PubChem CID 70690085) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid
PubChem CID70690085
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid
SMILESCC(C)Oc1ccc(-c2nc3cc(CCCC(=O)O)cnc3o2)cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-11(2)25-16-7-6-13(9-14(16)20)18-22-15-8-12(4-3-5-17(23)24)10-21-19(15)26-18/h6-11H,3-5H2,1-2H3,(H,23,24)
InChIKeyJZPZJFJDBMHNLH-UHFFFAOYSA-N
XLogP4.74
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid?
The IUPAC name of 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid (CID 70690085) is 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid.
What is the SMILES notation for 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid?
The canonical SMILES for 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid is CC(C)Oc1ccc(-c2nc3cc(CCCC(=O)O)cnc3o2)cc1Cl.
What is the InChIKey of 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid?
The InChIKey is JZPZJFJDBMHNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-11(2)25-16-7-6-13(9-14(16)20)18-22-15-8-12(4-3-5-17(23)24)10-21-19(15)26-18/h6-11H,3-5H2,1-2H3,(H,23,24).
What are the key properties of 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid?
4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid has a molecular weight of 374.82 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]butanoic acid is sourced from PubChem (CID 70690085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).