5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one

C14H12N2O3 — CID 82299502

IUPAC5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one
SMILESCC(=O)c1cnoc1-c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H12N2O3/c1-8(17)11-7-15-19-14(11)9-3-4-12-10(5-9)6-13(18)16(12)2/h3-5,7H,6H2,1-2H3
InChIKeyIBBACDWUOPPCNU-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.06
Rot. Bonds2

About 5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one

5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one (PubChem CID 82299502) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one
PubChem CID82299502
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one
SMILESCC(=O)c1cnoc1-c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H12N2O3/c1-8(17)11-7-15-19-14(11)9-3-4-12-10(5-9)6-13(18)16(12)2/h3-5,7H,6H2,1-2H3
InChIKeyIBBACDWUOPPCNU-UHFFFAOYSA-N
XLogP2.06
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(1-methyl-2-oxo-3H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 116858067
1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone
CID 82281258
4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
CID 82488719
4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 82300289
N,N-dimethyl-5-(1-methyl-2-oxo-3H-indol-5-yl)pyridine-3-carboxamide
CID 66793912
5-(5-amino-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 66793931
5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid
CID 82488432
5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 90850295
5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
CID 116884391
2-methyl-4-(1-methyl-2-oxo-3H-indol-5-yl)-1H-imidazole-5-carboxylic acid
CID 82306063
4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
CID 82488652
6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116880657

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one (CID 82299502) is 5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one is CC(=O)c1cnoc1-c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one?
The InChIKey is IBBACDWUOPPCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-8(17)11-7-15-19-14(11)9-3-4-12-10(5-9)6-13(18)16(12)2/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one?
5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one has a molecular weight of 256.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82299502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).