N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide

C12H10N4O4 — CID 71864510

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)oc3cccnc32)no1
InChIInChI=1S/C12H10N4O4/c1-7-5-9(15-20-7)14-10(17)6-16-11-8(19-12(16)18)3-2-4-13-11/h2-5H,6H2,1H3,(H,14,15,17)
InChIKeyHITGKBQJJUDKIH-UHFFFAOYSA-N
MW274.24 g/mol
LogP0.92
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide (PubChem CID 71864510) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide
PubChem CID71864510
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)oc3cccnc32)no1
InChIInChI=1S/C12H10N4O4/c1-7-5-9(15-20-7)14-10(17)6-16-11-8(19-12(16)18)3-2-4-13-11/h2-5H,6H2,1H3,(H,14,15,17)
InChIKeyHITGKBQJJUDKIH-UHFFFAOYSA-N
XLogP0.92
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-ethylphenyl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide
CID 71858085
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 146082697
2-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30160191
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 18228530
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 16798892
5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide
CID 66921889
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51368489
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
2-(2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110686831
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064039
3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 110006022

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide (CID 71864510) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide is Cc1cc(NC(=O)Cn2c(=O)oc3cccnc32)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide?
The InChIKey is HITGKBQJJUDKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c1-7-5-9(15-20-7)14-10(17)6-16-11-8(19-12(16)18)3-2-4-13-11/h2-5H,6H2,1H3,(H,14,15,17).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide has a molecular weight of 274.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 71864510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).