6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one

C20H15FN2O3S — CID 51318362

IUPAC6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CSc3ncc(-c4ccc(F)cc4)o3)ccc2N1
InChIInChI=1S/C20H15FN2O3S/c21-15-5-1-12(2-6-15)18-10-22-20(26-18)27-11-17(24)14-3-7-16-13(9-14)4-8-19(25)23-16/h1-3,5-7,9-10H,4,8,11H2,(H,23,25)
InChIKeyPFAKOPULPAEXSS-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.34
Rot. Bonds5

About 6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 51318362) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID51318362
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Name6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CSc3ncc(-c4ccc(F)cc4)o3)ccc2N1
InChIInChI=1S/C20H15FN2O3S/c21-15-5-1-12(2-6-15)18-10-22-20(26-18)27-11-17(24)14-3-7-16-13(9-14)4-8-19(25)23-16/h1-3,5-7,9-10H,4,8,11H2,(H,23,25)
InChIKeyPFAKOPULPAEXSS-UHFFFAOYSA-N
XLogP4.34
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 71939820
6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 2801269
2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86980186
6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 17447988
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone
CID 18140210
N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773798
7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one
CID 40743944
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 100818191
6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 116833046
4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide
CID 51318385
6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 9292462
6-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 9456238

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one (CID 51318362) is 6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)CSc3ncc(-c4ccc(F)cc4)o3)ccc2N1.
What is the InChIKey of 6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PFAKOPULPAEXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c21-15-5-1-12(2-6-15)18-10-22-20(26-18)27-11-17(24)14-3-7-16-13(9-14)4-8-19(25)23-16/h1-3,5-7,9-10H,4,8,11H2,(H,23,25).
What are the key properties of 6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 382.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 51318362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).