6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione

C14H12N2O3S — CID 106923069

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione
SMILESCc1nc(Sc2ccc3c(c2)N(C)C(=O)C3=O)oc1C
InChIInChI=1S/C14H12N2O3S/c1-7-8(2)19-14(15-7)20-9-4-5-10-11(6-9)16(3)13(18)12(10)17/h4-6H,1-3H3
InChIKeyRMYZSHPAHUWZCD-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.60
Rot. Bonds2

About 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione (PubChem CID 106923069) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione
PubChem CID106923069
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione
SMILESCc1nc(Sc2ccc3c(c2)N(C)C(=O)C3=O)oc1C
InChIInChI=1S/C14H12N2O3S/c1-7-8(2)19-14(15-7)20-9-4-5-10-11(6-9)16(3)13(18)12(10)17/h4-6H,1-3H3
InChIKeyRMYZSHPAHUWZCD-UHFFFAOYSA-N
XLogP2.60
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione (CID 106923069) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione is Cc1nc(Sc2ccc3c(c2)N(C)C(=O)C3=O)oc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione?
The InChIKey is RMYZSHPAHUWZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-7-8(2)19-14(15-7)20-9-4-5-10-11(6-9)16(3)13(18)12(10)17/h4-6H,1-3H3.
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione has a molecular weight of 288.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione is sourced from PubChem (CID 106923069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).