5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

C12H9N3O2 — CID 10036672

IUPAC5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)oc2cc1-c1ccncc1
InChIInChI=1S/C12H9N3O2/c1-7-9(8-2-4-13-5-3-8)6-10-11(14-7)15-12(16)17-10/h2-6H,1H3,(H,14,15,16)
InChIKeyVMQJWCHIXZOEAB-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.89
Rot. Bonds1

About 5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 10036672) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID10036672
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)oc2cc1-c1ccncc1
InChIInChI=1S/C12H9N3O2/c1-7-9(8-2-4-13-5-3-8)6-10-11(14-7)15-12(16)17-10/h2-6H,1H3,(H,14,15,16)
InChIKeyVMQJWCHIXZOEAB-UHFFFAOYSA-N
XLogP1.89
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 10036672) is 5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is Cc1nc2[nH]c(=O)oc2cc1-c1ccncc1.
What is the InChIKey of 5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is VMQJWCHIXZOEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-7-9(8-2-4-13-5-3-8)6-10-11(14-7)15-12(16)17-10/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 227.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pyridin-4-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 10036672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).