1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide

C14H17N3O3S — CID 71986853

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
SMILESCc1nc(CN2CCc3ccc(S(N)(=O)=O)cc32)oc1C
InChIInChI=1S/C14H17N3O3S/c1-9-10(2)20-14(16-9)8-17-6-5-11-3-4-12(7-13(11)17)21(15,18)19/h3-4,7H,5-6,8H2,1-2H3,(H2,15,18,19)
InChIKeyHAMMUKNAGUQXCZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.50
Rot. Bonds3

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 71986853) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID71986853
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
SMILESCc1nc(CN2CCc3ccc(S(N)(=O)=O)cc32)oc1C
InChIInChI=1S/C14H17N3O3S/c1-9-10(2)20-14(16-9)8-17-6-5-11-3-4-12(7-13(11)17)21(15,18)19/h3-4,7H,5-6,8H2,1-2H3,(H2,15,18,19)
InChIKeyHAMMUKNAGUQXCZ-UHFFFAOYSA-N
XLogP1.50
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide (CID 71986853) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide is Cc1nc(CN2CCc3ccc(S(N)(=O)=O)cc32)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is HAMMUKNAGUQXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-10(2)20-14(16-9)8-17-6-5-11-3-4-12(7-13(11)17)21(15,18)19/h3-4,7H,5-6,8H2,1-2H3,(H2,15,18,19).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 71986853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).