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

C9H7ClN2O3 — CID 83892643

IUPAC3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2cc(Cl)cnc2o1
InChIInChI=1S/C9H7ClN2O3/c10-5-3-6-9(11-4-5)15-7(12-6)1-2-8(13)14/h3-4H,1-2H2,(H,13,14)
InChIKeyIROWBPQFRWPEGB-UHFFFAOYSA-N
MW226.62 g/mol
LogP1.89
Rot. Bonds3

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

3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid (PubChem CID 83892643) has the molecular formula C9H7ClN2O3 and a molecular weight of 226.62 g/mol. Its IUPAC name is 3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
PubChem CID83892643
Molecular FormulaC9H7ClN2O3
Molecular Weight226.62 g/mol
Exact Mass226.01
IUPAC Name3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2cc(Cl)cnc2o1
InChIInChI=1S/C9H7ClN2O3/c10-5-3-6-9(11-4-5)15-7(12-6)1-2-8(13)14/h3-4H,1-2H2,(H,13,14)
InChIKeyIROWBPQFRWPEGB-UHFFFAOYSA-N
XLogP1.89
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
CID 83883065
3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
CID 83892644
3-(6-chloro-1,3-benzoxazol-2-yl)propanoic acid
CID 81433022
1-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propan-2-amine
CID 83885653
4-(5-chloro-1,3-benzoxazol-2-yl)butanoic acid
CID 28930919
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
3-(5-tert-butyl-1,3-benzoxazol-2-yl)propanoic acid
CID 43554566
3-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)propanoic acid
CID 82233736
3-(5-ethyl-1,3-benzoxazol-2-yl)propanoic acid
CID 79017178
10-(5-chloropyrimidin-2-yl)decanoic acid
CID 150177682
3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid
CID 84766366
6-methyl-2-(2-phenylethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337860

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid?
The IUPAC name of 3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid (CID 83892643) is 3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid?
The canonical SMILES for 3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid is O=C(O)CCc1nc2cc(Cl)cnc2o1.
What is the InChIKey of 3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid?
The InChIKey is IROWBPQFRWPEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3/c10-5-3-6-9(11-4-5)15-7(12-6)1-2-8(13)14/h3-4H,1-2H2,(H,13,14).
What are the key properties of 3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid?
3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid has a molecular weight of 226.62 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 83892643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).