7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine

C9H9ClN2O — CID 84667236

IUPAC7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(C)c1nc2nccc(Cl)c2o1
InChIInChI=1S/C9H9ClN2O/c1-5(2)9-12-8-7(13-9)6(10)3-4-11-8/h3-5H,1-2H3
InChIKeyMTNZPSHEBCVFLW-UHFFFAOYSA-N
MW196.64 g/mol
LogP3.00
Rot. Bonds1

About 7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine

7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 84667236) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID84667236
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(C)c1nc2nccc(Cl)c2o1
InChIInChI=1S/C9H9ClN2O/c1-5(2)9-12-8-7(13-9)6(10)3-4-11-8/h3-5H,1-2H3
InChIKeyMTNZPSHEBCVFLW-UHFFFAOYSA-N
XLogP3.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine (CID 84667236) is 7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine is CC(C)c1nc2nccc(Cl)c2o1.
What is the InChIKey of 7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is MTNZPSHEBCVFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-5(2)9-12-8-7(13-9)6(10)3-4-11-8/h3-5H,1-2H3.
What are the key properties of 7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine?
7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 196.64 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 84667236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).