3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one

C14H15N3O2S — CID 106923194

IUPAC3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Sc3nc(C)co3)ccc21
InChIInChI=1S/C14H15N3O2S/c1-3-15-12-10-5-4-9(6-11(10)17-13(12)18)20-14-16-8(2)7-19-14/h4-7,12,15H,3H2,1-2H3,(H,17,18)
InChIKeyJLRCCSXDOXITNE-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.74
Rot. Bonds4

About 3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one

3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 106923194) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID106923194
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Sc3nc(C)co3)ccc21
InChIInChI=1S/C14H15N3O2S/c1-3-15-12-10-5-4-9(6-11(10)17-13(12)18)20-14-16-8(2)7-19-14/h4-7,12,15H,3H2,1-2H3,(H,17,18)
InChIKeyJLRCCSXDOXITNE-UHFFFAOYSA-N
XLogP2.74
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923030
5-Amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106921726
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923028
1-Methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione
CID 106923048
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923052
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione
CID 106923069
5-Chloro-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923077
5-Chloro-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923081
3-(Methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923088
6-(1,3-Oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923089
5-Bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923095
3-(Ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923105

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 106923194) is 3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(Sc3nc(C)co3)ccc21.
What is the InChIKey of 3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is JLRCCSXDOXITNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-3-15-12-10-5-4-9(6-11(10)17-13(12)18)20-14-16-8(2)7-19-14/h4-7,12,15H,3H2,1-2H3,(H,17,18).
What are the key properties of 3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 289.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).