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

C21H20N2O3S — CID 20959075

IUPAC2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole
SMILESO=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCCc2ccccc21
InChIInChI=1S/C21H20N2O3S/c24-27(25,23-13-3-5-15-4-1-2-6-19(15)23)18-11-9-16(10-12-18)20-14-22-21(26-20)17-7-8-17/h1-2,4,6,9-12,14,17H,3,5,7-8,13H2
InChIKeyPRXMGFKGGVZBTL-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.36
Rot. Bonds4

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

2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole (PubChem CID 20959075) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole
PubChem CID20959075
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole
SMILESO=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCCc2ccccc21
InChIInChI=1S/C21H20N2O3S/c24-27(25,23-13-3-5-15-4-1-2-6-19(15)23)18-11-9-16(10-12-18)20-14-22-21(26-20)17-7-8-17/h1-2,4,6,9-12,14,17H,3,5,7-8,13H2
InChIKeyPRXMGFKGGVZBTL-UHFFFAOYSA-N
XLogP4.36
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.36
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
alpha-Ketooxazole, 5mm
CID 16735551
4-(2-Cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 122187162
4-(2-Cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 122187163
5-Phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 8688253
Pyridinium, 1-methyl-4-(5-phenyl-2-oxazolyl)-, p-toluenesulfonate
CID 3058220
4-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzenesulfonamide
CID 16110647
N-(3-acetylphenyl)-4-(2-cyclopropyl-5-oxazolyl)benzenesulfonamide
CID 20959088
4-(2-Cyclopropyl-1,3-oxazol-5-YL)-N-phenylbenzene-1-sulfonamide
CID 20959112
5-[4-(2,3-Dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole
CID 118714676
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 16027905
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 16027915

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole (CID 20959075) is 2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole is O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCCc2ccccc21.
What is the InChIKey of 2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole?
The InChIKey is PRXMGFKGGVZBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c24-27(25,23-13-3-5-15-4-1-2-6-19(15)23)18-11-9-16(10-12-18)20-14-22-21(26-20)17-7-8-17/h1-2,4,6,9-12,14,17H,3,5,7-8,13H2.
What are the key properties of 2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole?
2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole has a molecular weight of 380.47 g/mol, XLogP of 4.36, 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-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 20959075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).