3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one

C9H10N2O2 — CID 122696847

IUPAC3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one
SMILESCC(C)n1c(=O)oc2ccncc21
InChIInChI=1S/C9H10N2O2/c1-6(2)11-7-5-10-4-3-8(7)13-9(11)12/h3-6H,1-2H3
InChIKeyIMKHACRGDCRGMV-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.57
Rot. Bonds1

About 3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one

3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one (PubChem CID 122696847) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one
PubChem CID122696847
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one
SMILESCC(C)n1c(=O)oc2ccncc21
InChIInChI=1S/C9H10N2O2/c1-6(2)11-7-5-10-4-3-8(7)13-9(11)12/h3-6H,1-2H3
InChIKeyIMKHACRGDCRGMV-UHFFFAOYSA-N
XLogP1.57
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one?
The IUPAC name of 3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one (CID 122696847) is 3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one is CC(C)n1c(=O)oc2ccncc21.
What is the InChIKey of 3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one?
The InChIKey is IMKHACRGDCRGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(2)11-7-5-10-4-3-8(7)13-9(11)12/h3-6H,1-2H3.
What are the key properties of 3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one?
3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one has a molecular weight of 178.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one is sourced from PubChem (CID 122696847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).