5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C20H18F2N2O3S — CID 169417013

IUPAC5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCc2oc(CCc3ccccc3)nc2C1
InChIInChI=1S/C20H18F2N2O3S/c21-15-7-8-16(22)19(12-15)28(25,26)24-11-10-18-17(13-24)23-20(27-18)9-6-14-4-2-1-3-5-14/h1-5,7-8,12H,6,9-11,13H2
InChIKeyCYMVGSYDXOFGIB-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.48
Rot. Bonds5

About 5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 169417013) has the molecular formula C20H18F2N2O3S and a molecular weight of 404.44 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID169417013
Molecular FormulaC20H18F2N2O3S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCc2oc(CCc3ccccc3)nc2C1
InChIInChI=1S/C20H18F2N2O3S/c21-15-7-8-16(22)19(12-15)28(25,26)24-11-10-18-17(13-24)23-20(27-18)9-6-14-4-2-1-3-5-14/h1-5,7-8,12H,6,9-11,13H2
InChIKeyCYMVGSYDXOFGIB-UHFFFAOYSA-N
XLogP3.48
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-(2,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 170510610
5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169414199
2-benzyl-5-methylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169416004
(2S)-2-amino-3-hydroxy-1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 171910348
(2-chloro-6-fluorophenyl)-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169421733
5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169415039
2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole
CID 8797178
1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one
CID 170510767
3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 91913125
5-methyl-3-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 170511258
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 39627744

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 169417013) is 5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is O=S(=O)(c1cc(F)ccc1F)N1CCc2oc(CCc3ccccc3)nc2C1.
What is the InChIKey of 5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is CYMVGSYDXOFGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3S/c21-15-7-8-16(22)19(12-15)28(25,26)24-11-10-18-17(13-24)23-20(27-18)9-6-14-4-2-1-3-5-14/h1-5,7-8,12H,6,9-11,13H2.
What are the key properties of 5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 404.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 169417013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).