4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one

C10H10N2O2 — CID 83859254

IUPAC4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one
SMILESCC(=O)CCc1nc2ncccc2o1
InChIInChI=1S/C10H10N2O2/c1-7(13)4-5-9-12-10-8(14-9)3-2-6-11-10/h2-3,6H,4-5H2,1H3
InChIKeyLFONLASSULMVDF-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.74
Rot. Bonds3

About 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one

4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one (PubChem CID 83859254) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one.

Molecular Properties

Compound Name4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one
PubChem CID83859254
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one
SMILESCC(=O)CCc1nc2ncccc2o1
InChIInChI=1S/C10H10N2O2/c1-7(13)4-5-9-12-10-8(14-9)3-2-6-11-10/h2-3,6H,4-5H2,1H3
InChIKeyLFONLASSULMVDF-UHFFFAOYSA-N
XLogP1.74
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
CID 82403009
[1,3]oxazolo[4,5-b]pyridin-2-ylmethanol
CID 83383622
2-hexadec-7-enyl-[1,3]oxazolo[4,5-b]pyridine
CID 76650791
2-[(E)-octadec-9-enyl]-[1,3]oxazolo[4,5-b]pyridine
CID 22486198
2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine
CID 82337417
3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
CID 116990309
4-(7-chloro-1,3-benzoxazol-2-yl)butan-2-one
CID 83868132
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
4-(3-bromo-2-pyridinyl)butan-2-one
CID 130575763
2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-ol
CID 83384567
4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide
CID 154563389
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218

Frequently Asked Questions

What is the IUPAC name of 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one?
The IUPAC name of 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one (CID 83859254) is 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one.
What is the SMILES notation for 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one?
The canonical SMILES for 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one is CC(=O)CCc1nc2ncccc2o1.
What is the InChIKey of 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one?
The InChIKey is LFONLASSULMVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7(13)4-5-9-12-10-8(14-9)3-2-6-11-10/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one?
4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one has a molecular weight of 190.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one is sourced from PubChem (CID 83859254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).