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

C15H17N3O2S — CID 106923181

IUPAC6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(Sc3nc(C)co3)ccc21
InChIInChI=1S/C15H17N3O2S/c1-3-6-16-13-11-5-4-10(7-12(11)18-14(13)19)21-15-17-9(2)8-20-15/h4-5,7-8,13,16H,3,6H2,1-2H3,(H,18,19)
InChIKeyJPJTXMUXBUKPJN-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.13
Rot. Bonds5

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

6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 106923181) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID106923181
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(Sc3nc(C)co3)ccc21
InChIInChI=1S/C15H17N3O2S/c1-3-6-16-13-11-5-4-10(7-12(11)18-14(13)19)21-15-17-9(2)8-20-15/h4-5,7-8,13,16H,3,6H2,1-2H3,(H,18,19)
InChIKeyJPJTXMUXBUKPJN-UHFFFAOYSA-N
XLogP3.13
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

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
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
3-(Ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923105
5-Chloro-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923175
3-(Methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923180
3-(Ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923194
5-Chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923206

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one (CID 106923181) is 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(Sc3nc(C)co3)ccc21.
What is the InChIKey of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is JPJTXMUXBUKPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-3-6-16-13-11-5-4-10(7-12(11)18-14(13)19)21-15-17-9(2)8-20-15/h4-5,7-8,13,16H,3,6H2,1-2H3,(H,18,19).
What are the key properties of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one?
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 303.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).