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

C20H18N2O3S — CID 20959069

IUPAC2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole
SMILESO=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCc2ccccc21
InChIInChI=1S/C20H18N2O3S/c23-26(24,22-12-11-14-3-1-2-4-18(14)22)17-9-7-15(8-10-17)19-13-21-20(25-19)16-5-6-16/h1-4,7-10,13,16H,5-6,11-12H2
InChIKeyQLUJSUBPYPBDIR-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.97
Rot. Bonds4

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

2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole (PubChem CID 20959069) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole
PubChem CID20959069
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole
SMILESO=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCc2ccccc21
InChIInChI=1S/C20H18N2O3S/c23-26(24,22-12-11-14-3-1-2-4-18(14)22)17-9-7-15(8-10-17)19-13-21-20(25-19)16-5-6-16/h1-4,7-10,13,16H,5-6,11-12H2
InChIKeyQLUJSUBPYPBDIR-UHFFFAOYSA-N
XLogP3.97
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
CID 134143621
5-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-benzoxazepine
CID 134153414
2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole
CID 20959140
7-chloro-5-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-benzoxazepine
CID 134130808
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
1-(4-pyridin-3-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454423
5-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]sulfonyl-8-nitro-3,4-dihydro-2H-1,5-benzoxazepine
CID 134132311
1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole
CID 893382
5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958910
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole (CID 20959069) is 2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole is O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCc2ccccc21.
What is the InChIKey of 2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole?
The InChIKey is QLUJSUBPYPBDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-26(24,22-12-11-14-3-1-2-4-18(14)22)17-9-7-15(8-10-17)19-13-21-20(25-19)16-5-6-16/h1-4,7-10,13,16H,5-6,11-12H2.
What are the key properties of 2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole?
2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole has a molecular weight of 366.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 20959069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).