3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide

C15H19N3O5S2 — CID 110424242

IUPAC3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCN(S(C)(=O)=O)c2ccccc21
InChIInChI=1S/C15H19N3O5S2/c1-10-15(11(2)23-16-10)25(21,22)17-13-8-9-18(24(3,19)20)14-7-5-4-6-12(13)14/h4-7,13,17H,8-9H2,1-3H3
InChIKeyGAYZLQIWFDFELB-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.48
Rot. Bonds4

About 3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide (PubChem CID 110424242) has the molecular formula C15H19N3O5S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide
PubChem CID110424242
Molecular FormulaC15H19N3O5S2
Molecular Weight385.47 g/mol
Exact Mass385.08
IUPAC Name3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCN(S(C)(=O)=O)c2ccccc21
InChIInChI=1S/C15H19N3O5S2/c1-10-15(11(2)23-16-10)25(21,22)17-13-8-9-18(24(3,19)20)14-7-5-4-6-12(13)14/h4-7,13,17H,8-9H2,1-3H3
InChIKeyGAYZLQIWFDFELB-UHFFFAOYSA-N
XLogP1.48
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole
CID 110737858
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110603917
2-cyano-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide
CID 110424253
3,5-dimethyl-N-[[(4R)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94640718
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)cyclohexanecarboxamide
CID 110424130
1-tert-butyl-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)urea
CID 110667441
3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide
CID 110640098
3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide
CID 71689746
(3S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-oxopyrrolidine-3-carboxamide
CID 95760428
3,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 51089443
3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 141081625

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide (CID 110424242) is 3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC1CCN(S(C)(=O)=O)c2ccccc21.
What is the InChIKey of 3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide?
The InChIKey is GAYZLQIWFDFELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S2/c1-10-15(11(2)23-16-10)25(21,22)17-13-8-9-18(24(3,19)20)14-7-5-4-6-12(13)14/h4-7,13,17H,8-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide has a molecular weight of 385.47 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110424242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).