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

C21H22N2O3S — CID 110609322

IUPAC2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CC(C)Cc4ccccc43)cc2)c(C)o1
InChIInChI=1S/C21H22N2O3S/c1-14-12-18-6-4-5-7-20(18)23(13-14)27(24,25)19-10-8-17(9-11-19)21-15(2)26-16(3)22-21/h4-11,14H,12-13H2,1-3H3
InChIKeyWMDVXJLTOWVURQ-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.35
Rot. Bonds3

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

2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole (PubChem CID 110609322) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole
PubChem CID110609322
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CC(C)Cc4ccccc43)cc2)c(C)o1
InChIInChI=1S/C21H22N2O3S/c1-14-12-18-6-4-5-7-20(18)23(13-14)27(24,25)19-10-8-17(9-11-19)21-15(2)26-16(3)22-21/h4-11,14H,12-13H2,1-3H3
InChIKeyWMDVXJLTOWVURQ-UHFFFAOYSA-N
XLogP4.35
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 110415887
4-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2,5-dimethyl-1,3-oxazole
CID 110410978
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 110602519
4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine
CID 63947239
3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
CID 63378163
1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one
CID 110616863
N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110416315
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane
CID 67561869
1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480885
5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile
CID 106268220
1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663002
(4S,6R)-2,8-bis-(4-methylphenyl)sulfonyl-5-oxa-2,8-diazatricyclo[7.4.0.04,6]trideca-1(13),9,11-triene
CID 102589599

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole?
The IUPAC name of 2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole (CID 110609322) is 2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole?
The canonical SMILES for 2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole is Cc1nc(-c2ccc(S(=O)(=O)N3CC(C)Cc4ccccc43)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole?
The InChIKey is WMDVXJLTOWVURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-12-18-6-4-5-7-20(18)23(13-14)27(24,25)19-10-8-17(9-11-19)21-15(2)26-16(3)22-21/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole?
2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole has a molecular weight of 382.49 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 110609322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).