5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole

C19H18N2O3S — CID 20958910

IUPAC5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)N3CCc4ccccc43)c2)o1
InChIInChI=1S/C19H18N2O3S/c1-13-7-8-16(18-12-20-14(2)24-18)11-19(13)25(22,23)21-10-9-15-5-3-4-6-17(15)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyRUDSHVFIFSHCTI-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.71
Rot. Bonds3

About 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole

5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole (PubChem CID 20958910) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole
PubChem CID20958910
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)N3CCc4ccccc43)c2)o1
InChIInChI=1S/C19H18N2O3S/c1-13-7-8-16(18-12-20-14(2)24-18)11-19(13)25(22,23)21-10-9-15-5-3-4-6-17(15)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyRUDSHVFIFSHCTI-UHFFFAOYSA-N
XLogP3.71
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole
CID 20959140
5-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958962
3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 53042681
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958920
2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole
CID 20959069
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one
CID 23611829
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 46365773
5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole
CID 53079465
3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethylbenzoic acid
CID 9235357
(1S,5R)-9-methyl-7-[2-methyl-5-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfonyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 135120650
5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 62142967
6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one
CID 5295628

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole?
The IUPAC name of 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole (CID 20958910) is 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole is Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3CCc4ccccc43)c2)o1.
What is the InChIKey of 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole?
The InChIKey is RUDSHVFIFSHCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13-7-8-16(18-12-20-14(2)24-18)11-19(13)25(22,23)21-10-9-15-5-3-4-6-17(15)21/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole?
5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole has a molecular weight of 354.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 20958910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).