5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one

C13H13N3O2 — CID 116831905

IUPAC5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one
SMILESCCc1oc(N)nc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H13N3O2/c1-2-10-12(16-13(14)18-10)7-3-4-9-8(5-7)6-11(17)15-9/h3-5H,2,6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyCAFMBCYSHMLSIO-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.98
Rot. Bonds2

About 5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one

5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one (PubChem CID 116831905) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one
PubChem CID116831905
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one
SMILESCCc1oc(N)nc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H13N3O2/c1-2-10-12(16-13(14)18-10)7-3-4-9-8(5-7)6-11(17)15-9/h3-5H,2,6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyCAFMBCYSHMLSIO-UHFFFAOYSA-N
XLogP1.98
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one
CID 116832149
6-(2-amino-4-ethyl-1,3-oxazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116832062
5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one
CID 122662664
5-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-2-amine
CID 105472325
5-(3-aminoimidazo[1,2-a]pyridin-2-yl)-1,3-dihydroindol-2-one
CID 82355772
5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one
CID 84604694
5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
CID 82473851
5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one
CID 82479021
2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
CID 116867086
5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 79095790
5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one
CID 116832496
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 82481963

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one (CID 116831905) is 5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one is CCc1oc(N)nc1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is CAFMBCYSHMLSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-10-12(16-13(14)18-10)7-3-4-9-8(5-7)6-11(17)15-9/h3-5H,2,6H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one?
5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 243.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 116831905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).