2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide

C16H19N3O4S — CID 110623274

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)no1
InChIInChI=1S/C16H19N3O4S/c1-11-8-14(18-23-11)10-16(20)17-13-5-6-15-12(9-13)4-3-7-19(15)24(2,21)22/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,20)
InChIKeyAYCHOYGGTAEUHF-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.88
Rot. Bonds4

About 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide

2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide (PubChem CID 110623274) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide
PubChem CID110623274
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)no1
InChIInChI=1S/C16H19N3O4S/c1-11-8-14(18-23-11)10-16(20)17-13-5-6-15-12(9-13)4-3-7-19(15)24(2,21)22/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,20)
InChIKeyAYCHOYGGTAEUHF-UHFFFAOYSA-N
XLogP1.88
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide with MolForge

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Related Compounds

2-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]acetamide
CID 110609553
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propanamide
CID 110303774
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
N-benzyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658096
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110424986
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 7658024
N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658164
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-pyridin-3-ylbutanamide
CID 110623293
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)piperidine-4-carboxamide
CID 22690154
N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658172
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea
CID 110623289

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide (CID 110623274) is 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide is Cc1cc(CC(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide?
The InChIKey is AYCHOYGGTAEUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11-8-14(18-23-11)10-16(20)17-13-5-6-15-12(9-13)4-3-7-19(15)24(2,21)22/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,20).
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide?
2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide is sourced from PubChem (CID 110623274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).