3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one

C14H15N3O2S — CID 106923312

IUPAC3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one
SMILESCc1nc(Sc2ccc3c(c2)N(C)C(=O)C3N)oc1C
InChIInChI=1S/C14H15N3O2S/c1-7-8(2)19-14(16-7)20-9-4-5-10-11(6-9)17(3)13(18)12(10)15/h4-6,12H,15H2,1-3H3
InChIKeyJILRMFWSDSUPSC-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.42
Rot. Bonds2

About 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one

3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one (PubChem CID 106923312) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one
PubChem CID106923312
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one
SMILESCc1nc(Sc2ccc3c(c2)N(C)C(=O)C3N)oc1C
InChIInChI=1S/C14H15N3O2S/c1-7-8(2)19-14(16-7)20-9-4-5-10-11(6-9)17(3)13(18)12(10)15/h4-6,12H,15H2,1-3H3
InChIKeyJILRMFWSDSUPSC-UHFFFAOYSA-N
XLogP2.42
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one (CID 106923312) is 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one is Cc1nc(Sc2ccc3c(c2)N(C)C(=O)C3N)oc1C.
What is the InChIKey of 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one?
The InChIKey is JILRMFWSDSUPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-7-8(2)19-14(16-7)20-9-4-5-10-11(6-9)17(3)13(18)12(10)15/h4-6,12H,15H2,1-3H3.
What are the key properties of 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one?
3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one has a molecular weight of 289.36 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 106923312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).