2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole

C22H22N2O3S — CID 20959140

IUPAC2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole
SMILESCc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H22N2O3S/c1-15-8-9-18(20-14-23-22(27-20)17-10-11-17)13-21(15)28(25,26)24-12-4-6-16-5-2-3-7-19(16)24/h2-3,5,7-9,13-14,17H,4,6,10-12H2,1H3
InChIKeyLPUUWNNDZBEHIT-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.67
Rot. Bonds4

About 2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole

2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole (PubChem CID 20959140) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole
PubChem CID20959140
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole
SMILESCc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H22N2O3S/c1-15-8-9-18(20-14-23-22(27-20)17-10-11-17)13-21(15)28(25,26)24-12-4-6-16-5-2-3-7-19(16)24/h2-3,5,7-9,13-14,17H,4,6,10-12H2,1H3
InChIKeyLPUUWNNDZBEHIT-UHFFFAOYSA-N
XLogP4.67
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958910
2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
CID 20959137
2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole
CID 20959069
5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 122187167
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
1-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
CID 134143621
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 20959170
N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20959178
(3aR,7aR)-2-[[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 99768681
3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 53042681
1-(2,4-dimethyl-5-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2916601

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole (CID 20959140) is 2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole is Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole?
The InChIKey is LPUUWNNDZBEHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-8-9-18(20-14-23-22(27-20)17-10-11-17)13-21(15)28(25,26)24-12-4-6-16-5-2-3-7-19(16)24/h2-3,5,7-9,13-14,17H,4,6,10-12H2,1H3.
What are the key properties of 2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole?
2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole has a molecular weight of 394.50 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole is sourced from PubChem (CID 20959140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).