N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide

C20H19N3O3S — CID 7347486

IUPACN-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide
SMILESCN(C[C@H]1CC(c2ccccc2)=NO1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C20H19N3O3S/c1-23(14-17-13-18(22-26-17)15-7-3-2-4-8-15)27(24,25)19-11-5-9-16-10-6-12-21-20(16)19/h2-12,17H,13-14H2,1H3/t17-/m1/s1
InChIKeyDDOCRNJGOGKEKH-QGZVFWFLSA-N
MW381.46 g/mol
LogP3.05
Rot. Bonds5

About N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide

N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide (PubChem CID 7347486) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide
PubChem CID7347486
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide
SMILESCN(C[C@H]1CC(c2ccccc2)=NO1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C20H19N3O3S/c1-23(14-17-13-18(22-26-17)15-7-3-2-4-8-15)27(24,25)19-11-5-9-16-10-6-12-21-20(16)19/h2-12,17H,13-14H2,1H3/t17-/m1/s1
InChIKeyDDOCRNJGOGKEKH-QGZVFWFLSA-N
XLogP3.05
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide with MolForge

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Related Compounds

N-benzyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-sulfonamide
CID 92911385
N-[(2,4-difluorophenyl)methyl]-N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide
CID 5085147
N,3,3-trimethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]butanamide
CID 42790316
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
CID 119991402
N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide
CID 7231252
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide
CID 25343254
(2S)-1-[methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]butan-2-ol
CID 93177696
N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398
(5R)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4,5-dihydro-1,2-oxazole
CID 139187390
5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 72741218
2-(N-quinolin-8-ylsulfonylanilino)acetic acid
CID 146018152

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide?
The IUPAC name of N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide (CID 7347486) is N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide is CN(C[C@H]1CC(c2ccccc2)=NO1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide?
The InChIKey is DDOCRNJGOGKEKH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-23(14-17-13-18(22-26-17)15-7-3-2-4-8-15)27(24,25)19-11-5-9-16-10-6-12-21-20(16)19/h2-12,17H,13-14H2,1H3/t17-/m1/s1.
What are the key properties of N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide?
N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide has a molecular weight of 381.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 7347486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).