6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one

C14H15N3O2S — CID 106923089

IUPAC6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(Sc3ncco3)ccc21
InChIInChI=1S/C14H15N3O2S/c1-2-5-15-12-10-4-3-9(8-11(10)17-13(12)18)20-14-16-6-7-19-14/h3-4,6-8,12,15H,2,5H2,1H3,(H,17,18)
InChIKeyDBOGUAQNNITUAZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.82
Rot. Bonds5

About 6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one

6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 106923089) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID106923089
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(Sc3ncco3)ccc21
InChIInChI=1S/C14H15N3O2S/c1-2-5-15-12-10-4-3-9(8-11(10)17-13(12)18)20-14-16-6-7-19-14/h3-4,6-8,12,15H,2,5H2,1H3,(H,17,18)
InChIKeyDBOGUAQNNITUAZ-UHFFFAOYSA-N
XLogP2.82
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 113893564
5-Fluoro-3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 113894082
2-Methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921306
3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921381
5-Amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106921415
6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
CID 106921438
6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 106923002
1-Methyl-6-(1,3-oxazol-2-ylsulfanyl)indole-2,3-dione
CID 106923021
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
5-Bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923095

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one (CID 106923089) is 6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(Sc3ncco3)ccc21.
What is the InChIKey of 6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is DBOGUAQNNITUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-2-5-15-12-10-4-3-9(8-11(10)17-13(12)18)20-14-16-6-7-19-14/h3-4,6-8,12,15H,2,5H2,1H3,(H,17,18).
What are the key properties of 6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 289.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).