2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid

C12H14N2O3 — CID 103500365

IUPAC2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid
SMILESCc1ccc2oc(C(C)C(C)C(=O)O)nc2n1
InChIInChI=1S/C12H14N2O3/c1-6-4-5-9-10(13-6)14-11(17-9)7(2)8(3)12(15)16/h4-5,7-8H,1-3H3,(H,15,16)
InChIKeyGGCLPKYFOVSGGU-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.36
Rot. Bonds3

About 2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid

2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid (PubChem CID 103500365) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid
PubChem CID103500365
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid
SMILESCc1ccc2oc(C(C)C(C)C(=O)O)nc2n1
InChIInChI=1S/C12H14N2O3/c1-6-4-5-9-10(13-6)14-11(17-9)7(2)8(3)12(15)16/h4-5,7-8H,1-3H3,(H,15,16)
InChIKeyGGCLPKYFOVSGGU-UHFFFAOYSA-N
XLogP2.36
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid?
The IUPAC name of 2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid (CID 103500365) is 2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid.
What is the SMILES notation for 2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid?
The canonical SMILES for 2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid is Cc1ccc2oc(C(C)C(C)C(=O)O)nc2n1.
What is the InChIKey of 2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid?
The InChIKey is GGCLPKYFOVSGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-6-4-5-9-10(13-6)14-11(17-9)7(2)8(3)12(15)16/h4-5,7-8H,1-3H3,(H,15,16).
What are the key properties of 2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid?
2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid has a molecular weight of 234.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)butanoic acid is sourced from PubChem (CID 103500365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).