3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole

C15H18N2O3S — CID 110737858

IUPAC3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C)c2ccccc21
InChIInChI=1S/C15H18N2O3S/c1-10-8-9-17(14-7-5-4-6-13(10)14)21(18,19)15-11(2)16-20-12(15)3/h4-7,10H,8-9H2,1-3H3
InChIKeyZGQQJCRFRSTXIV-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.99
Rot. Bonds2

About 3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole

3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole (PubChem CID 110737858) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole
PubChem CID110737858
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C)c2ccccc21
InChIInChI=1S/C15H18N2O3S/c1-10-8-9-17(14-7-5-4-6-13(10)14)21(18,19)15-11(2)16-20-12(15)3/h4-7,10H,8-9H2,1-3H3
InChIKeyZGQQJCRFRSTXIV-UHFFFAOYSA-N
XLogP2.99
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide
CID 110424242
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine
CID 3673325
3,5-dimethyl-N-[[(4R)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94640718
3,5-dimethyl-4-(2-phenylazetidin-1-yl)sulfonyl-1,2-oxazole
CID 75461129
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
4-(1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1,2-oxazole
CID 110290909
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 90589443
4-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 110714201
3,5-dimethyl-4-(3-phenylazepan-1-yl)sulfonyl-1,2-oxazole
CID 90608649
4-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 23120230
N-(3,4-dihydro-2H-chromen-4-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110751240
(3S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-oxopyrrolidine-3-carboxamide
CID 95760428

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole (CID 110737858) is 3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCC(C)c2ccccc21.
What is the InChIKey of 3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole?
The InChIKey is ZGQQJCRFRSTXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-8-9-17(14-7-5-4-6-13(10)14)21(18,19)15-11(2)16-20-12(15)3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole?
3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole has a molecular weight of 306.39 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,2-oxazole is sourced from PubChem (CID 110737858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).