5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole

C16H14N2O3S2 — CID 53079465

IUPAC5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C16H14N2O3S2/c1-11-16(10-15(22-11)14-6-8-17-21-14)23(19,20)18-9-7-12-4-2-3-5-13(12)18/h2-6,8,10H,7,9H2,1H3
InChIKeyPEDYYJBETWPQIA-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.46
Rot. Bonds3

About 5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole

5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole (PubChem CID 53079465) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole
PubChem CID53079465
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC Name5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C16H14N2O3S2/c1-11-16(10-15(22-11)14-6-8-17-21-14)23(19,20)18-9-7-12-4-2-3-5-13(12)18/h2-6,8,10H,7,9H2,1H3
InChIKeyPEDYYJBETWPQIA-UHFFFAOYSA-N
XLogP3.46
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079450
5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958910
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethylbenzoic acid
CID 9235357
3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 53042681
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride
CID 53314219
5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole
CID 39730338
1-(2,5-dimethylthiophen-3-yl)sulfonyl-2,3,4,5-tetrahydro-1,4-benzodiazepine;hydrochloride
CID 119975212
5-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2-oxazole
CID 53112003
1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 42282733
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile
CID 106545109

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole?
The IUPAC name of 5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole (CID 53079465) is 5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole is Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole?
The InChIKey is PEDYYJBETWPQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c1-11-16(10-15(22-11)14-6-8-17-21-14)23(19,20)18-9-7-12-4-2-3-5-13(12)18/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole?
5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole has a molecular weight of 346.43 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole is sourced from PubChem (CID 53079465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).