5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole

C19H18N2O3S — CID 118714676

IUPAC5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole
SMILESCCc1ncc(-c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)o1
InChIInChI=1S/C19H18N2O3S/c1-2-19-20-13-18(24-19)15-7-9-16(10-8-15)25(22,23)21-12-11-14-5-3-4-6-17(14)21/h3-10,13H,2,11-12H2,1H3
InChIKeyMRQJCBGFRSNKNT-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.66
Rot. Bonds4

About 5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole

5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole (PubChem CID 118714676) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole.

Molecular Properties

Compound Name5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole
PubChem CID118714676
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole
SMILESCCc1ncc(-c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)o1
InChIInChI=1S/C19H18N2O3S/c1-2-19-20-13-18(24-19)15-7-9-16(10-8-15)25(22,23)21-12-11-14-5-3-4-6-17(14)21/h3-10,13H,2,11-12H2,1H3
InChIKeyMRQJCBGFRSNKNT-UHFFFAOYSA-N
XLogP3.66
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 91595667
4-(2-Cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 122187162
4-(2-Cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 122187163
4-[2-(Pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 122187164
Pyridinium, 1-methyl-4-(5-phenyl-2-oxazolyl)-, p-toluenesulfonate
CID 3058220
4-({[5-(1,3-Oxazol-5-yl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}amino)benzenesulfonamide
CID 57115904
4-[1-(5-Oxazol-5-yl-2-oxo-1,2-dihydro-indol-3-ylidene)-ethylamino]benzenesulfonamide
CID 57244101
N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide
CID 4789558
4-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzenesulfonamide
CID 16110647
3-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzenesulfonamide
CID 16110701
1-[[4-(2-Cyclopropyl-5-oxazolyl)phenyl]sulfonyl]-1,2,3,4-tetrahydro-quinoline
CID 20959075
N-(3-acetylphenyl)-4-(2-cyclopropyl-5-oxazolyl)benzenesulfonamide
CID 20959088

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole?
The IUPAC name of 5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole (CID 118714676) is 5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole.
What is the SMILES notation for 5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole?
The canonical SMILES for 5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole is CCc1ncc(-c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)o1.
What is the InChIKey of 5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole?
The InChIKey is MRQJCBGFRSNKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-2-19-20-13-18(24-19)15-7-9-16(10-8-15)25(22,23)21-12-11-14-5-3-4-6-17(14)21/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole?
5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole has a molecular weight of 354.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole is sourced from PubChem (CID 118714676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).