3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

C10H8N2O3 — CID 83908635

IUPAC3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc2onc(C3CC3)c12
InChIInChI=1S/C10H8N2O3/c13-10(14)6-3-4-11-9-7(6)8(12-15-9)5-1-2-5/h3-5H,1-2H2,(H,13,14)
InChIKeyCTTRNTIRUDPVBZ-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.80
Rot. Bonds2

About 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 83908635) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID83908635
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc2onc(C3CC3)c12
InChIInChI=1S/C10H8N2O3/c13-10(14)6-3-4-11-9-7(6)8(12-15-9)5-1-2-5/h3-5H,1-2H2,(H,13,14)
InChIKeyCTTRNTIRUDPVBZ-UHFFFAOYSA-N
XLogP1.80
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 83908635) is 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1ccnc2onc(C3CC3)c12.
What is the InChIKey of 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is CTTRNTIRUDPVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-10(14)6-3-4-11-9-7(6)8(12-15-9)5-1-2-5/h3-5H,1-2H2,(H,13,14).
What are the key properties of 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 83908635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).