N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide

C11H12N2O3 — CID 121371026

IUPACN-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide
SMILESCC(=O)NCc1c(C)n2occc2cc1=O
InChIInChI=1S/C11H12N2O3/c1-7-10(6-12-8(2)14)11(15)5-9-3-4-16-13(7)9/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyAZEFJSNBNCYREQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.84
Rot. Bonds2

About N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide

N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide (PubChem CID 121371026) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide
PubChem CID121371026
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide
SMILESCC(=O)NCc1c(C)n2occc2cc1=O
InChIInChI=1S/C11H12N2O3/c1-7-10(6-12-8(2)14)11(15)5-9-3-4-16-13(7)9/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyAZEFJSNBNCYREQ-UHFFFAOYSA-N
XLogP0.84
TPSA63.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
CID 121371043
N-[[6-methyl-2-(1,3-oxazol-2-yl)-4-oxo-1H-pyridin-3-yl]methyl]acetamide
CID 118544386
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[(2,4,6-trifluorophenyl)methyl]acetamide
CID 110477322
N-[(2,5-dihydroxy-1,3-dioxobenzo[de]isoquinolin-6-yl)methyl]acetamide
CID 22623905
ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
CID 144778771
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide
CID 177366183
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
N-[[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]acetamide
CID 168875057

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide?
The IUPAC name of N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide (CID 121371026) is N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide.
What is the SMILES notation for N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide?
The canonical SMILES for N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide is CC(=O)NCc1c(C)n2occc2cc1=O.
What is the InChIKey of N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide?
The InChIKey is AZEFJSNBNCYREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-10(6-12-8(2)14)11(15)5-9-3-4-16-13(7)9/h3-5H,6H2,1-2H3,(H,12,14).
What are the key properties of N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide?
N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide has a molecular weight of 220.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide is sourced from PubChem (CID 121371026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).