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

C14H14BrN3O2S — CID 106923095

IUPAC5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(Sc3ncco3)c(Br)cc21
InChIInChI=1S/C14H14BrN3O2S/c1-2-3-16-12-8-6-9(15)11(7-10(8)18-13(12)19)21-14-17-4-5-20-14/h4-7,12,16H,2-3H2,1H3,(H,18,19)
InChIKeyPFXABXXLUSLAEA-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.58
Rot. Bonds5

About 5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one

5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 106923095) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is 5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID106923095
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC Name5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(Sc3ncco3)c(Br)cc21
InChIInChI=1S/C14H14BrN3O2S/c1-2-3-16-12-8-6-9(15)11(7-10(8)18-13(12)19)21-14-17-4-5-20-14/h4-7,12,16H,2-3H2,1H3,(H,18,19)
InChIKeyPFXABXXLUSLAEA-UHFFFAOYSA-N
XLogP3.58
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106921415
5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 106923003
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
3-(Ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923105
5-Chloro-3-(methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923118
5-Bromo-3-(methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923119
3-Amino-5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923129
5-Bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923142
3-Amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923156

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one (CID 106923095) is 5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(Sc3ncco3)c(Br)cc21.
What is the InChIKey of 5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is PFXABXXLUSLAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c1-2-3-16-12-8-6-9(15)11(7-10(8)18-13(12)19)21-14-17-4-5-20-14/h4-7,12,16H,2-3H2,1H3,(H,18,19).
What are the key properties of 5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 368.26 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).